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

• ChemBase ID: 462697
• Molecular Formular: C21H23N3O
• Molecular Mass: 333.42682
• Monoisotopic Mass: 333.18411237
• SMILES: c12c(n[nH]c1CCN(C2)CCCO)c1ccc(cc1)c1ccccc1
• Canonical SMILES: OCCCN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C21H23N3O/c25-14-4-12-24-13-11-20-19(15-24)21(23-22-20)18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-10,25H,4,11-15H2,(H,22,23)
• InChIKey: WANDVZNGKVLZFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.378841
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2365973
• LogD (pH = 7.4): 2.004799
• Log P: 3.0001736
• Molar Refractivity: 102.6437 cm^3
• Polarizability: 41.550194 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: 2.87
• LOG S: -3.07
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5