5-amino-N,1-dimethyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 308531
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(c(n(nc1)C)N)C(=O)NC
• Canonical SMILES: CNC(=O)c1cnn(c1N)C
• InChI: InChI=1S/C6H10N4O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,7H2,1-2H3,(H,8,11)
• InChIKey: LOYKLDXYNWYWDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-N,1-dimethyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 5-amino-N,1-dimethylpyrazole-4-carboxamide
• Synonyms: 5-amino-N,1-dimethyl-1H-pyrazole-4-carboxamide

Database IDs

• CAS Number: 1022962-66-8
• MDL Number: MFCD12030935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6146239
• LogD (pH = 7.4): -0.61421806
• Log P: -0.6142127
• Molar Refractivity: 52.8902 cm^3
• Polarizability: 14.783696 Å^3
• Polar Surface Area: 72.94 Å^2