3-Aminopyrazole-4-carboxamide Hemisulfate

CAS Number: 27511-79-1

Molecular Formula: C8H14N8O6S

Purity: 3-Aminopyrazole-4-carboxamide Hemisulfate 98% purity

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About 3-Aminopyrazole-4-carboxamide Hemisulfate

3-Aminopyrazole-4-carboxamide Hemisulfate (CAS 27511-79-1) is a critical heterocyclic building block in the high purity fine chemicals sector, predominantly utilized by North American CDMOs for the development of selective kinase inhibitors and purine-like antimetabolites where Pharma/API purity 99% is the benchmark fo...

3-Aminopyrazole-4-carboxamide Hemisulfate Specifications

CAS Number

27511-79-1

Molecular Formula

C8H14N8O6S

Molecular Weight

350.32 g/mol

IUPAC Name

bis(5-amino-1H-pyrazole-4-carboxamide);sulfuric acid

Canonical SMILES

C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O

InChI Key

VTYOJZSADXOMKM-UHFFFAOYSA-N

InChI

InChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)

PubChem CID

2723907

EINECS Number

248-503-6

MDL Number

MFCD00013093

HSN No

29331990

CAS Number

27511-79-1

Molecular Formula

C8H14N8O6S

Molecular Weight

350.32 g/mol

IUPAC Name

bis(5-amino-1H-pyrazole-4-carboxamide);sulfuric acid

Canonical SMILES

C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O

InChI Key

VTYOJZSADXOMKM-UHFFFAOYSA-N

InChI

InChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)

PubChem CID

2723907

EINECS Number

248-503-6

MDL Number

MFCD00013093

HSN No

29331990

Molecular Weight

350.32 g/mol

Purity

3-Aminopyrazole-4-carboxamide Hemisulfate 98% purity

Melting Point

223-226 °C

Boiling Point

454.3°C at 760 mmHg

Freezing point

222 - 234 °C

Flash Point

228.5 °C

Density

0.84 g/cm3

pKa

13.26±0.50

logP

-0.8

Vapour pressure

1.93E-08 mmHg at 25 °C

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

Skin Irrit. 2 (25%) Skin Sens. 1B (50%)

Pharmaceutical Intermediate

An important building block and critical organic intermediate primarily used in the synthesis of allopurinol for the treatment of gout

Reference Standard

A high-purity International Chemical Reference Substance (ICRS) utilized in quality control and analytical testing, specifically for thin-layer chromatographic tests according to the International Pharmacopoeia

Biochemical Reagent

A specialized reactant employed in the synthesis of bioactive molecules, including pyrazolo[3,4-d]pyrimidines for use as cyclin-dependent kinase 2 inhibitors