N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 308631
• Molecular Formular: C8H12N4O
• Molecular Mass: 180.20708
• Monoisotopic Mass: 180.10111102
• SMILES: c1(c2c(n[nH]1)CCNC2)C(=O)NC
• Canonical SMILES: CNC(=O)c1[nH]nc2c1CNCC2
• InChI: InChI=1S/C8H12N4O/c1-9-8(13)7-5-4-10-3-2-6(5)11-12-7/h10H,2-4H2,1H3,(H,9,13)(H,11,12)
• InChIKey: LFAOOBXACNUBAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide

Database IDs

• CAS Number: 926926-73-0
• MDL Number: MFCD20502681

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.7574415
• LogD (pH = 7.4): -2.042457
• Log P: -1.3179601
• Molar Refractivity: 49.5778 cm^3
• Polarizability: 18.09367 Å^3
• Polar Surface Area: 69.81 Å^2