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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Allopurinol, USP, 98-102%, Spectrum™ Chemical

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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CAS	315-30-0
Molecular Weight (g/mol)	136.11
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

(1,3-Dimethyl-1H-pyrazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 57012-20-1 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 MDL Number: MFCD02682037 InChI Key: GUJDKMVLHCJODO-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol PubChem CID: 2776363 IUPAC Name: (2,5-dimethylpyrazol-3-yl)methanol SMILES: CC1=NN(C(=C1)CO)C

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PubChem CID	2776363
CAS	57012-20-1
Molecular Weight (g/mol)	126.159
MDL Number	MFCD02682037
SMILES	CC1=NN(C(=C1)CO)C
Synonym	1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol
IUPAC Name	(2,5-dimethylpyrazol-3-yl)methanol
InChI Key	GUJDKMVLHCJODO-UHFFFAOYSA-N
Molecular Formula	C6H10N2O

Thermo Scientific Chemicals Allopurinol, 98%

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

3,5-Dimethylpyrazole, 99%

CAS: 67-51-6 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005243 InChI Key: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC Name: 3,5-dimethyl-1H-pyrazole SMILES: CC1=CC(C)=NN1

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PubChem CID	6210
CAS	67-51-6
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00005243
SMILES	CC1=CC(C)=NN1
Synonym	3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
IUPAC Name	3,5-dimethyl-1H-pyrazole
InChI Key	SDXAWLJRERMRKF-UHFFFAOYSA-N
Molecular Formula	C5H8N2

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

CAS: 1192-21-8 Molecular Formula: C₄H₇N₃ Molecular Weight (g/mol): 97.12 InChI Key: JESRNIJXVIFVOV-UHFFFAOYSA-N Synonym: 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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PubChem CID	136927
CAS	1192-21-8
Molecular Weight (g/mol)	97.12
SMILES	CN1C(=CC=N1)N
Synonym	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
IUPAC Name	2-methylpyrazol-3-amine
InChI Key	JESRNIJXVIFVOV-UHFFFAOYSA-N
Molecular Formula	C₄H₇N₃

5-BOC-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine, 97%, Thermo Scientific™

CAS: 230301-11-8 Molecular Formula: C₁₁H₁₇N₃O₂ Molecular Weight (g/mol): 223.27 InChI Key: BHYPERDTLBCHAE-UHFFFAOYSA-N Synonym: tert-butyl 6,7-dihydro-1h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-1,4,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 6,7-dihydro-2h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-4,5,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 2h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo-4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo 4,3-c pyridine-5-carboxylate,t-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate PubChem CID: 10398680 IUPAC Name: tert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2

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PubChem CID	10398680
CAS	230301-11-8
Molecular Weight (g/mol)	223.27
SMILES	CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2
Synonym	tert-butyl 6,7-dihydro-1h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-1,4,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 6,7-dihydro-2h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-4,5,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 2h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo-4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo 4,3-c pyridine-5-carboxylate,t-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate
IUPAC Name	tert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
InChI Key	BHYPERDTLBCHAE-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₇N₃O₂

3-Aminopyrazole, 98%

CAS: 1820-80-0 Molecular Formula: C₃H₅N₃ Molecular Weight (g/mol): 83.09 MDL Number: MFCD00005236 InChI Key: JVVRJMXHNUAPHW-UHFFFAOYSA-N Synonym: 3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine PubChem CID: 74561 IUPAC Name: 1H-pyrazol-5-amine SMILES: C1=C(NN=C1)N

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PubChem CID	74561
CAS	1820-80-0
Molecular Weight (g/mol)	83.09
MDL Number	MFCD00005236
SMILES	C1=C(NN=C1)N
Synonym	3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine
IUPAC Name	1H-pyrazol-5-amine
InChI Key	JVVRJMXHNUAPHW-UHFFFAOYSA-N
Molecular Formula	C₃H₅N₃

3-Bromo-7-nitroindazole, 98+%

CAS: 74209-34-0 Molecular Formula: C7H4BrN3O2 Molecular Weight (g/mol): 242.03 MDL Number: MFCD00159910 InChI Key: NFSTZPMYAZRZPC-UHFFFAOYSA-N Synonym: 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj PubChem CID: 1649 IUPAC Name: 3-bromo-7-nitro-2H-indazole SMILES: [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12

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PubChem CID	1649
CAS	74209-34-0
Molecular Weight (g/mol)	242.03
MDL Number	MFCD00159910
SMILES	[O-][N+](=O)C1=CC=CC2=C(Br)NN=C12
Synonym	3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj
IUPAC Name	3-bromo-7-nitro-2H-indazole
InChI Key	NFSTZPMYAZRZPC-UHFFFAOYSA-N
Molecular Formula	C7H4BrN3O2

1:3-Dimethyl-1H-pyrazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 844891-03-8 Molecular Formula: C6H9N3S Molecular Weight (g/mol): 155.219 InChI Key: RVWYPAZKPYVUDC-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carbothioamide,1h-pyrazole-5-carbothioamide,1,3-dimethyl,amino 1,3-dimethylpyrazol-5-yl methane-1-thione PubChem CID: 2795270 IUPAC Name: 2,5-dimethylpyrazole-3-carbothioamide SMILES: CC1=NN(C(=C1)C(=S)N)C

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PubChem CID	2795270
CAS	844891-03-8
Molecular Weight (g/mol)	155.219
SMILES	CC1=NN(C(=C1)C(=S)N)C
Synonym	1,3-dimethyl-1h-pyrazole-5-carbothioamide,1h-pyrazole-5-carbothioamide,1,3-dimethyl,amino 1,3-dimethylpyrazol-5-yl methane-1-thione
IUPAC Name	2,5-dimethylpyrazole-3-carbothioamide
InChI Key	RVWYPAZKPYVUDC-UHFFFAOYSA-N
Molecular Formula	C6H9N3S

Pyrazole, 98%, pure

CAS: 288-13-1 Molecular Formula: C₃H₄N₂ Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

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PubChem CID	1048
CAS	288-13-1
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:17241
MDL Number	MFCD00005234
SMILES	C1=CNN=C1
Synonym	pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name	1H-pyrazole
InChI Key	WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula	C₃H₄N₂

3,5-Dichloro-1H-indazole, 95%, Thermo Scientific Chemicals

CAS: 36760-20-0 Molecular Formula: C7H4Cl2N2 Molecular Weight (g/mol): 187.023 MDL Number: MFCD09263200 InChI Key: QQZISIWJMCCCNH-UHFFFAOYSA-N Synonym: 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole PubChem CID: 268460 IUPAC Name: 3,5-dichloro-2H-indazole SMILES: C1=CC2=NNC(=C2C=C1Cl)Cl

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Specifications

PubChem CID	268460
CAS	36760-20-0
Molecular Weight (g/mol)	187.023
MDL Number	MFCD09263200
SMILES	C1=CC2=NNC(=C2C=C1Cl)Cl
Synonym	3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole
IUPAC Name	3,5-dichloro-2H-indazole
InChI Key	QQZISIWJMCCCNH-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2N2

3-Indazolinone, 97%

CAS: 7364-25-2 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.138 MDL Number: MFCD00005685 InChI Key: SWEICGMKXPNXNU-UHFFFAOYSA-N Synonym: 1h-indazol-3-ol,3-indazolinone,indazolinone,1h-indazol-3 2h-one,3-hydroxy-1h-indazole,3-hydroxyindazole,1,2-dihydro-3h-indazol-3-one,3-oxo-1,2-indazole,3h-indazol-3-one, 1,2-dihydro,2h-indazol-3-ol PubChem CID: 81829 IUPAC Name: 1,2-dihydroindazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NN2

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PubChem CID	81829
CAS	7364-25-2
Molecular Weight (g/mol)	134.138
MDL Number	MFCD00005685
SMILES	C1=CC=C2C(=C1)C(=O)NN2
Synonym	1h-indazol-3-ol,3-indazolinone,indazolinone,1h-indazol-3 2h-one,3-hydroxy-1h-indazole,3-hydroxyindazole,1,2-dihydro-3h-indazol-3-one,3-oxo-1,2-indazole,3h-indazol-3-one, 1,2-dihydro,2h-indazol-3-ol
IUPAC Name	1,2-dihydroindazol-3-one
InChI Key	SWEICGMKXPNXNU-UHFFFAOYSA-N
Molecular Formula	C7H6N2O

Bendazac, Thermo Scientific Chemicals

CAS: 20187-55-7 Molecular Formula: 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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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
Molecular Formula	C16H13N2NaO3

3-Amino-4-pyrazolecarbonitrile, 98%

CAS: 16617-46-2 MDL Number: MFCD00005237 InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N Synonym: 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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PubChem CID	85515
CAS	16617-46-2
MDL Number	MFCD00005237
SMILES	C1=NNC(=C1C#N)N
Synonym	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
IUPAC Name	5-amino-1H-pyrazole-4-carbonitrile
InChI Key	FFNKBQRKZRMYCL-UHFFFAOYSA-N

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

CAS: 36140-83-7 Molecular Formula: C8H9N3O Molecular Weight (g/mol): 163.18 MDL Number: MFCD00051954 InChI Key: DDWZYWSLHBDVGR-UHFFFAOYSA-N Synonym: 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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Specifications

PubChem CID	262101
CAS	36140-83-7
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00051954
SMILES	CC1=CC(=NN1C(=O)CC#N)C
Synonym	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
IUPAC Name	3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile
InChI Key	DDWZYWSLHBDVGR-UHFFFAOYSA-N
Molecular Formula	C8H9N3O

Pyrazoles

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Allopurinol, USP, 98-102%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Allopurinol, USP, 98-102%, Spectrum™ Chemical