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

• ChemBase ID: 309338
• Molecular Formular: C9H15N3O
• Molecular Mass: 181.2349
• Monoisotopic Mass: 181.12151212
• SMILES: c12c(n(nc1CO)CC)CCNC2
• Canonical SMILES: OCc1nn(c2c1CNCC2)CC
• InChI: InChI=1S/C9H15N3O/c1-2-12-9-3-4-10-5-7(9)8(6-13)11-12/h10,13H,2-6H2,1H3
• InChIKey: RRCPHOTWOUQSPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1243249-97-9
• MDL Number: MFCD17078872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3201509
• LogD (pH = 7.4): -1.6062123
• Log P: -0.6384271
• Molar Refractivity: 62.5492 cm^3
• Polarizability: 19.439909 Å^3
• Polar Surface Area: 50.08 Å^2