(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol

• ChemBase ID: 686287
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: c12c([nH]nc1CO)CCN(C2)Cc1ccc(n2nccc2)cc1
• Canonical SMILES: OCc1n[nH]c2c1CN(CC2)Cc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C17H19N5O/c23-12-17-15-11-21(9-6-16(15)19-20-17)10-13-2-4-14(5-3-13)22-8-1-7-18-22/h1-5,7-8,23H,6,9-12H2,(H,19,20)
• InChIKey: IVXHGDSEKMQQJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol
• IUPAC Traditional name: (5-{[4-(pyrazol-1-yl)phenyl]methyl}-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol
• Synonyms: {5-[4-(1H-pyrazol-1-yl)benzyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.238133
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.78513855
• LogD (pH = 7.4): 0.79139465
• Log P: 1.0744284
• Molar Refractivity: 90.8536 cm^3
• Polarizability: 34.340614 Å^3
• Polar Surface Area: 69.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.48
• LOG S: -0.86
• Polar Surface Area: 69.97 Å^2
• Rotatable Bonds: 4