5-amino-1-ethyl-N-methyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 308368
• Molecular Formular: C7H12N4O
• Molecular Mass: 168.19638
• Monoisotopic Mass: 168.10111102
• SMILES: c1(c(n(nc1)CC)N)C(=O)NC
• Canonical SMILES: CNC(=O)c1cnn(c1N)CC
• InChI: InChI=1S/C7H12N4O/c1-3-11-6(8)5(4-10-11)7(12)9-2/h4H,3,8H2,1-2H3,(H,9,12)
• InChIKey: BLZNWFKLYACPNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-ethyl-N-methyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 5-amino-1-ethyl-N-methylpyrazole-4-carboxamide
• Synonyms: 5-amino-1-ethyl-N-methyl-1H-pyrazole-4-carboxamide

Database IDs

• CAS Number: 1175774-02-3
• MDL Number: MFCD12030944

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.2577902
• LogD (pH = 7.4): -0.25740978
• Log P: -0.25740474
• Molar Refractivity: 57.6388 cm^3
• Polarizability: 16.60781 Å^3
• Polar Surface Area: 72.94 Å^2