{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol

• ChemBase ID: 309278
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: c12c(n(nc1CO)C)CCNC2
• Canonical SMILES: OCc1nn(c2c1CNCC2)C
• InChI: InChI=1S/C8H13N3O/c1-11-8-2-3-9-4-6(8)7(5-12)10-11/h9,12H,2-5H2,1H3
• InChIKey: XXGJXWZYCCJXKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• IUPAC Traditional name: {1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• Synonyms: (1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanol

Database IDs

• CAS Number: 1227465-76-0
• MDL Number: MFCD15146526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6785223
• LogD (pH = 7.4): -1.9649401
• Log P: -0.995235
• Molar Refractivity: 57.8006 cm^3
• Polarizability: 17.603756 Å^3
• Polar Surface Area: 50.08 Å^2