5-amino-N-methyl-1H-pyrazole-3-carboxamide

• ChemBase ID: 308935
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: c1(cc([nH]n1)N)C(=O)NC
• Canonical SMILES: CNC(=O)c1cc([nH]n1)N
• InChI: InChI=1S/C5H8N4O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H3,6,8,9)
• InChIKey: SKFJIVQTQUITHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-N-methyl-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: 5-amino-N-methyl-1H-pyrazole-3-carboxamide
• Synonyms: 5-amino-N-methyl-1H-pyrazole-3-carboxamide

Database IDs

• CAS Number: 1219743-33-5
• MDL Number: MFCD14702862

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.0021285
• LogD (pH = 7.4): -1.003682
• Log P: -1.0020385
• Molar Refractivity: 37.3022 cm^3
• Polarizability: 13.041878 Å^3
• Polar Surface Area: 83.8 Å^2