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

• ChemBase ID: 308874
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c12c([nH]nc1CC)CCNC2
• Canonical SMILES: CCc1n[nH]c2c1CNCC2
• InChI: InChI=1S/C8H13N3/c1-2-7-6-5-9-4-3-8(6)11-10-7/h9H,2-5H2,1H3,(H,10,11)
• InChIKey: ZLDCRTPWKGHTNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177343-19-9
• MDL Number: MFCD11505345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5189302
• LogD (pH = 7.4): -0.91330594
• Log P: 0.39887282
• Molar Refractivity: 45.5093 cm^3
• Polarizability: 16.974987 Å^3
• Polar Surface Area: 40.71 Å^2