Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Formula molecolare: C5H4N4O Molecular Weight (g/mol): 136.11 Numero MDL: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Sinonimo: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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Sinonimo	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
Numero MDL	MFCD00599413
PubChem CID	2094
Formula molecolare	C5H4N4O
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
SMILES	O=C1N=CN=C2NNC=C12
IUPAC Name	1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N

7-Nitro-1H-indazole, 98%

CAS: 2942-42-9 Formula molecolare: C7H5N3O2 Molecular Weight (g/mol): 163.136 Numero MDL: MFCD00022789 InChI Key: PQCAUHUKTBHUSA-UHFFFAOYSA-N Sinonimo: 7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni PubChem CID: 1893 IUPAC Name: 7-nitro-1H-indazole SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

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Sinonimo	7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni
Numero MDL	MFCD00022789
PubChem CID	1893
Formula molecolare	C7H5N3O2
CAS	2942-42-9
Molecular Weight (g/mol)	163.136
SMILES	C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2
IUPAC Name	7-nitro-1H-indazole
InChI Key	PQCAUHUKTBHUSA-UHFFFAOYSA-N

1H-Indazole-7-carboxylic acid, 95%

CAS: 677304-69-7 Formula molecolare: C8H6N2O2 Molecular Weight (g/mol): 162.148 Numero MDL: MFCD06804572 InChI Key: WBCWIQCXHSXMDH-UHFFFAOYSA-N Sinonimo: 7-carboxy-1h-indazole,1h-indazole-7-carboxylicacid,indazole-7-carboxylic acid,7-indazole carboxylic acid,pubchem17673,acmc-1bl1h,ksc351o8t,2h-indazole-7-carboxylic acid,7-1h indazole carboxylic acid PubChem CID: 12639205 IUPAC Name: 1H-indazole-7-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)NN=C2

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Sinonimo	7-carboxy-1h-indazole,1h-indazole-7-carboxylicacid,indazole-7-carboxylic acid,7-indazole carboxylic acid,pubchem17673,acmc-1bl1h,ksc351o8t,2h-indazole-7-carboxylic acid,7-1h indazole carboxylic acid
Numero MDL	MFCD06804572
PubChem CID	12639205
Formula molecolare	C8H6N2O2
CAS	677304-69-7
Molecular Weight (g/mol)	162.148
SMILES	C1=CC2=C(C(=C1)C(=O)O)NN=C2
IUPAC Name	1H-indazole-7-carboxylic acid
InChI Key	WBCWIQCXHSXMDH-UHFFFAOYSA-N

Bendazac, Thermo Scientific Chemicals

CAS: 20187-55-7 Formula molecolare: C16H13N2NaO3 Molecular Weight (g/mol): 304.28 InChI Key: GHFGHIKJGVMEFT-UHFFFAOYSA-M IUPAC Name: sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate SMILES: [Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12

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Formula molecolare	C16H13N2NaO3
CAS	20187-55-7
Molecular Weight (g/mol)	304.28
SMILES	[Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
IUPAC Name	sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate
InChI Key	GHFGHIKJGVMEFT-UHFFFAOYSA-M

3-Amino-1H-pyrazole-4-carbonitrile, 98%

CAS: 16617-46-2 Formula molecolare: C4H4N4 Molecular Weight (g/mol): 108.104 Numero MDL: MFCD00005237 InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N Sinonimo: 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole PubChem CID: 85515 IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile SMILES: C1=NNC(=C1C#N)N

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Sinonimo	3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole
Numero MDL	MFCD00005237
PubChem CID	85515
Formula molecolare	C4H4N4
CAS	16617-46-2
Molecular Weight (g/mol)	108.104
SMILES	C1=NNC(=C1C#N)N
IUPAC Name	5-amino-1H-pyrazole-4-carbonitrile
InChI Key	FFNKBQRKZRMYCL-UHFFFAOYSA-N

6-Amino-3-chloro-1H-indazole, 97%

CAS: 21413-23-0 Formula molecolare: C7H6ClN3 Molecular Weight (g/mol): 167.60 Numero MDL: MFCD07781648 InChI Key: DRRARKIFTNKQDW-UHFFFAOYSA-N Sinonimo: 3-chloro-1h-indazol-6-amine,6-amino-3-chloro-1h-indazole,1h-indazol-6-amine,3-chloro,6-amino-3-chloroindazole,3-chloro-1h-indazole-6-ylamine,3-chloro-1h-indazol-6-ylamine,6-amino-3-chloro 1h indazole,pubchem23042,3-chloro-indazol-6-amine PubChem CID: 14790453 IUPAC Name: 3-chloro-2H-indazol-6-amine SMILES: NC1=CC2=NNC(Cl)=C2C=C1

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Sinonimo	3-chloro-1h-indazol-6-amine,6-amino-3-chloro-1h-indazole,1h-indazol-6-amine,3-chloro,6-amino-3-chloroindazole,3-chloro-1h-indazole-6-ylamine,3-chloro-1h-indazol-6-ylamine,6-amino-3-chloro 1h indazole,pubchem23042,3-chloro-indazol-6-amine
Numero MDL	MFCD07781648
PubChem CID	14790453
Formula molecolare	C7H6ClN3
CAS	21413-23-0
Molecular Weight (g/mol)	167.60
SMILES	NC1=CC2=NNC(Cl)=C2C=C1
IUPAC Name	3-chloro-2H-indazol-6-amine
InChI Key	DRRARKIFTNKQDW-UHFFFAOYSA-N

3-Amino-5-iodo-1H-indazole, 97%

CAS: 88805-76-9 Formula molecolare: C7H6IN3 Molecular Weight (g/mol): 259.05 Numero MDL: MFCD09261138 InChI Key: GBUVSJWTWOWRSL-UHFFFAOYSA-N Sinonimo: 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine PubChem CID: 20135868 IUPAC Name: 5-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(I)C=C12

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Sinonimo	3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine
Numero MDL	MFCD09261138
PubChem CID	20135868
Formula molecolare	C7H6IN3
CAS	88805-76-9
Molecular Weight (g/mol)	259.05
SMILES	NC1=NNC2=CC=C(I)C=C12
IUPAC Name	5-iodo-1H-indazol-3-amine
InChI Key	GBUVSJWTWOWRSL-UHFFFAOYSA-N

3-Amino-5-bromo-1H-indazole, 97%, Thermo Scientific Chemicals

CAS: 61272-71-7 Formula molecolare: C7H6BrN3 Molecular Weight (g/mol): 212.05 Numero MDL: MFCD03426696 InChI Key: OMPYFDJVSAMSMA-UHFFFAOYSA-N Sinonimo: 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine PubChem CID: 817910 IUPAC Name: 5-bromo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(Br)C=C12

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Sinonimo	3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine
Numero MDL	MFCD03426696
PubChem CID	817910
Formula molecolare	C7H6BrN3
CAS	61272-71-7
Molecular Weight (g/mol)	212.05
SMILES	NC1=NNC2=CC=C(Br)C=C12
IUPAC Name	5-bromo-1H-indazol-3-amine
InChI Key	OMPYFDJVSAMSMA-UHFFFAOYSA-N

1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole, 97%

CAS: 36140-83-7 Formula molecolare: C8H9N3O Molecular Weight (g/mol): 163.18 Numero MDL: MFCD00051954 InChI Key: DDWZYWSLHBDVGR-UHFFFAOYSA-N Sinonimo: 1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo PubChem CID: 262101 IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile SMILES: CC1=CC(=NN1C(=O)CC#N)C

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Sinonimo	1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo
Numero MDL	MFCD00051954
PubChem CID	262101
Formula molecolare	C8H9N3O
CAS	36140-83-7
Molecular Weight (g/mol)	163.18
SMILES	CC1=CC(=NN1C(=O)CC#N)C
IUPAC Name	3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile
InChI Key	DDWZYWSLHBDVGR-UHFFFAOYSA-N

3-Bromo-1H-indazole, 97%

CAS: 40598-94-5 Formula molecolare: C7H5BrN2 Molecular Weight (g/mol): 197.035 Numero MDL: MFCD00159926 InChI Key: HTKXRTUKPXEALT-UHFFFAOYSA-N PubChem CID: 721568 IUPAC Name: 3-bromo-2H-indazole SMILES: C1=CC2=C(NN=C2C=C1)Br

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Numero MDL	MFCD00159926
PubChem CID	721568
Formula molecolare	C7H5BrN2
CAS	40598-94-5
Molecular Weight (g/mol)	197.035
SMILES	C1=CC2=C(NN=C2C=C1)Br
IUPAC Name	3-bromo-2H-indazole
InChI Key	HTKXRTUKPXEALT-UHFFFAOYSA-N

N,N'-Di-Boc-1H-pyrazole-1-carboxamidine, 98+%

CAS: 152120-54-2 Formula molecolare: C14H22N4O4 Molecular Weight (g/mol): 310.354 Numero MDL: MFCD01075122 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Sinonimo: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

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Sinonimo	n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
Numero MDL	MFCD01075122
PubChem CID	6383521
Formula molecolare	C14H22N4O4
CAS	152120-54-2
Molecular Weight (g/mol)	310.354
SMILES	CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
IUPAC Name	tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
InChI Key	QFNFDHNZVTWZED-UHFFFAOYSA-N

3-Amino-6-bromo-1H-indazole, 97%

CAS: 404827-77-6 Formula molecolare: C7H6BrN3 Molecular Weight (g/mol): 212.05 Numero MDL: MFCD05665872 InChI Key: WLDHNAMVDBASAW-UHFFFAOYSA-N PubChem CID: 2786631 IUPAC Name: 6-bromo-1H-indazol-3-amine SMILES: C1=CC2=C(C=C1Br)NN=C2N

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Numero MDL	MFCD05665872
PubChem CID	2786631
Formula molecolare	C7H6BrN3
CAS	404827-77-6
Molecular Weight (g/mol)	212.05
SMILES	C1=CC2=C(C=C1Br)NN=C2N
IUPAC Name	6-bromo-1H-indazol-3-amine
InChI Key	WLDHNAMVDBASAW-UHFFFAOYSA-N

3-Amino-5-bromo-1-methyl-1H-indazole, 97%

CAS: 1000018-06-3 Formula molecolare: C8H8BrN3 Molecular Weight (g/mol): 226.077 Numero MDL: MFCD09864804 InChI Key: BKBSBRJIGMVBFM-UHFFFAOYSA-N Sinonimo: 5-bromo-1-methyl-1h-indazol-3-amine,3-amino-5-bromo-1-methyl-1h-indazole,acmc-2097ln,5-bromo-1-methyl-1h-indazole-3-ylamine PubChem CID: 26369215 IUPAC Name: 5-bromo-1-methylindazol-3-amine SMILES: CN1C2=C(C=C(C=C2)Br)C(=N1)N

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Sinonimo	5-bromo-1-methyl-1h-indazol-3-amine,3-amino-5-bromo-1-methyl-1h-indazole,acmc-2097ln,5-bromo-1-methyl-1h-indazole-3-ylamine
Numero MDL	MFCD09864804
PubChem CID	26369215
Formula molecolare	C8H8BrN3
CAS	1000018-06-3
Molecular Weight (g/mol)	226.077
SMILES	CN1C2=C(C=C(C=C2)Br)C(=N1)N
IUPAC Name	5-bromo-1-methylindazol-3-amine
InChI Key	BKBSBRJIGMVBFM-UHFFFAOYSA-N

5-Amino-1-methyl-1H-pyrazole, 97%

CAS: 1192-21-8 Formula molecolare: C₄H₇N₃ Molecular Weight (g/mol): 97.12 InChI Key: JESRNIJXVIFVOV-UHFFFAOYSA-N Sinonimo: 1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine PubChem CID: 136927 IUPAC Name: 2-methylpyrazol-3-amine SMILES: CN1C(=CC=N1)N

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Sinonimo	1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine
PubChem CID	136927
Formula molecolare	C₄H₇N₃
CAS	1192-21-8
Molecular Weight (g/mol)	97.12
SMILES	CN1C(=CC=N1)N
IUPAC Name	2-methylpyrazol-3-amine
InChI Key	JESRNIJXVIFVOV-UHFFFAOYSA-N

4-(1H-Pyrazol-1-ylmethyl)aniline, 95%, Thermo Scientific™

CAS: 142335-61-3 Formula molecolare: C10H11N3 Molecular Weight (g/mol): 173.22 Numero MDL: MFCD03422514 InChI Key: ISRYTHBRUSOVAB-UHFFFAOYSA-N Sinonimo: 4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline PubChem CID: 2764412 IUPAC Name: 4-(pyrazol-1-ylmethyl)aniline SMILES: NC1=CC=C(CN2C=CC=N2)C=C1

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Sinonimo	4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline
Numero MDL	MFCD03422514
PubChem CID	2764412
Formula molecolare	C10H11N3
CAS	142335-61-3
Molecular Weight (g/mol)	173.22
SMILES	NC1=CC=C(CN2C=CC=N2)C=C1
IUPAC Name	4-(pyrazol-1-ylmethyl)aniline
InChI Key	ISRYTHBRUSOVAB-UHFFFAOYSA-N

Pyrazoles

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