3-[3-(3-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-ol

• ChemBase ID: 770238
• Molecular Formular: C15H18FN3O
• Molecular Mass: 275.3213232
• Monoisotopic Mass: 275.14339043
• SMILES: c12c(n[nH]c1CCN(C2)CCCO)c1cc(F)ccc1
• Canonical SMILES: OCCCN1CCc2c(C1)c(n[nH]2)c1cccc(c1)F
• InChI: InChI=1S/C15H18FN3O/c16-12-4-1-3-11(9-12)15-13-10-19(6-2-8-20)7-5-14(13)17-18-15/h1,3-4,9,20H,2,5-8,10H2,(H,17,18)
• InChIKey: SYPAZHQUOCMCLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.323557
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1628792
• LogD (pH = 7.4): 0.61116207
• Log P: 1.49565
• Molar Refractivity: 77.7239 cm^3
• Polarizability: 30.114817 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.23
• LOG S: -1.25
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 4