1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 309926
• Molecular Formular: C8H12N4O
• Molecular Mass: 180.20708
• Monoisotopic Mass: 180.10111102
• SMILES: c1(c2c(n(n1)C)CCNC2)C(=O)N
• Canonical SMILES: NC(=O)c1nn(c2c1CNCC2)C
• InChI: InChI=1S/C8H12N4O/c1-12-6-2-3-10-4-5(6)7(11-12)8(9)13/h10H,2-4H2,1H3,(H2,9,13)
• InChIKey: PGHGGDLINALNJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

Database IDs

• MDL Number: MFCD20491796

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.769764
• LogD (pH = 7.4): -2.0594509
• Log P: -1.0728666
• Molar Refractivity: 60.2133 cm^3
• Polarizability: 18.019806 Å^3
• Polar Surface Area: 72.94 Å^2