{4-[4-(1H-pyrazol-1-yl)phenyl]pyridin-2-yl}methanol

• ChemBase ID: 708321
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: n1(nccc1)c1ccc(c2cc(ncc2)CO)cc1
• Canonical SMILES: OCc1nccc(c1)c1ccc(cc1)n1cccn1
• InChI: InChI=1S/C15H13N3O/c19-11-14-10-13(6-8-16-14)12-2-4-15(5-3-12)18-9-1-7-17-18/h1-10,19H,11H2
• InChIKey: XXHFPVKFCIVBON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[4-(1H-pyrazol-1-yl)phenyl]pyridin-2-yl}methanol
• IUPAC Traditional name: {4-[4-(pyrazol-1-yl)phenyl]pyridin-2-yl}methanol
• Synonyms: {4-[4-(1H-pyrazol-1-yl)phenyl]-2-pyridinyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1737585
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7134217
• LogD (pH = 7.4): 1.8014824
• Log P: 1.8027394
• Molar Refractivity: 73.6927 cm^3
• Polarizability: 29.962078 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -2.48
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3