1-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol

• ChemBase ID: 546745
• Molecular Formular: C21H23N3O
• Molecular Mass: 333.42682
• Monoisotopic Mass: 333.18411237
• SMILES: c12c(n[nH]c1CCN(C2)CC(O)C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CC(CN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)O
• InChI: InChI=1S/C21H23N3O/c1-15(25)13-24-12-11-20-19(14-24)21(23-22-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,25H,11-14H2,1H3,(H,22,23)
• InChIKey: NXQNDOQDAVRJHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
• IUPAC Traditional name: 1-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
• Synonyms: 1-(3-biphenyl-4-yl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)propan-2-ol

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.339145
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.595008
• LogD (pH = 7.4): 2.3633842
• Log P: 3.3567889
• Molar Refractivity: 102.1971 cm^3
• Polarizability: 41.550194 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 2
• Log P: 3.87
• LOG S: -3.93