5-benzoyl-3-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 820624
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17N3O/c23-19(15-9-5-2-6-10-15)22-12-11-17-16(13-22)18(21-20-17)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,21)
• InChIKey: VQPSVOMXZUUYFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzoyl-3-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 5-benzoyl-3-phenyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 5-benzoyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.066698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0640662
• LogD (pH = 7.4): 3.064158
• Log P: 3.0641592
• Molar Refractivity: 91.2915 cm^3
• Polarizability: 35.334805 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.05
• LOG S: -4.01
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2