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

• ChemBase ID: 361510
• Molecular Formular: C22H25N3O
• Molecular Mass: 347.4534
• Monoisotopic Mass: 347.19976244
• SMILES: c12c(n[nH]c1CCN(C2)CCCO)C(c1ccccc1)c1ccccc1
• Canonical SMILES: OCCCN1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H25N3O/c26-15-7-13-25-14-12-20-19(16-25)22(24-23-20)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,21,26H,7,12-16H2,(H,23,24)
• InChIKey: WRFWPJMEZVKHKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 2.9623728
• Molar Refractivity: 106.7262 cm^3
• Polarizability: 40.48646 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.369215
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.69402695
• LogD (pH = 7.4): 2.4228032

供应商提供(Chembridge)

• Log P: 2.87
• LOG S: -3.18
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 2