3-Amino-1H-pyrazole-4-carboxamide sulfate (2:1)

C₄H₈N₄O₅SCAS 27511-79-1224.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈N₄O₅S
Molar mass: 224.19 g/mol
Exact mass: 224.0215 Da
Melting point: 222–225 °C
logP: -0.95Crippen estimate
Polar surface area: 174.1 Å²
H-bond donors / acceptors: 7 / 4
Rotatable bonds: 1

Identifiers

CAS number

27511-79-1

SMILES

N=C(O)c1c[nH][nH]c1=N.O=S(=O)(O)O

InChIKey

RHMSRJURIHDMNK-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O.H2O4S/c5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-Pyrazole-4-carboxamide, 3-amino-, sulfate (2:1)
Pyrazole-4-carboxamide, 3-amino-, sulfate (2:1)
3-Amino-1H-pyrazole-4-carboxamide hemisulfate
3-Amino-4-pyrazolecarboxamide hemisulfate salt

Work with 3-Amino-1H-pyrazole-4-carboxamide sulfate (2:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Amino-1H-pyrazole-4-carboxylic acid41680-34-654 % similar Ethyl 3-amino-1H-pyrazole-4-carboxylate6994-25-837 % similar 4-Amino-3-pyridinecarboxamide7418-66-835 % similar 4,5,6-Triaminopyrimidine sulfate49721-45-133 % similar Phthalamide88-96-032 % similar 2,4,5,6-Tetraaminopyrimidine sulfate49647-58-732 % similar 2,4,5,6-Tetraaminopyrimidine sulfate (1:1)5392-28-932 % similar Carbamidinium sulfate1184-68-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook