[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol

• ChemBase ID: 311278
• Molecular Formular: C16H13FN2O
• Molecular Mass: 268.2856232
• Monoisotopic Mass: 268.10119127
• SMILES: n1n(cc(c1c1ccc(cc1)F)CO)c1ccccc1
• Canonical SMILES: OCc1cn(nc1c1ccc(cc1)F)c1ccccc1
• InChI: InChI=1S/C16H13FN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2
• InChIKey: OKPDLCPGQCSFBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
• IUPAC Traditional name: [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol
• Synonyms: [3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol

Database IDs

• CAS Number: 36640-54-7
• MDL Number: MFCD01909769

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.467463
• LogD (pH = 7.4): 3.4674919
• Log P: 3.467492
• Molar Refractivity: 76.2162 cm^3
• Polarizability: 30.473215 Å^3
• Polar Surface Area: 38.05 Å^2