[5-(3-phenylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methanol

• ChemBase ID: 818760
• Molecular Formular: C16H21N3O
• Molecular Mass: 271.35744
• Monoisotopic Mass: 271.16846231
• SMILES: c12c([nH]nc1CO)CCN(C2)CCCc1ccccc1
• Canonical SMILES: OCc1n[nH]c2c1CN(CCCc1ccccc1)CC2
• InChI: InChI=1S/C16H21N3O/c20-12-16-14-11-19(10-8-15(14)17-18-16)9-4-7-13-5-2-1-3-6-13/h1-3,5-6,20H,4,7-12H2,(H,17,18)
• InChIKey: GXLFZYFNCCJQLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.238471
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8134135
• LogD (pH = 7.4): 0.95706487
• Log P: 1.7218399
• Molar Refractivity: 81.8479 cm^3
• Polarizability: 30.877245 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.66
• LOG S: -1.59
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5