(1-phenyl-1H-pyrazol-5-yl)methanol

• ChemBase ID: 309697
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1(c(ccn1)CO)c1ccccc1
• Canonical SMILES: OCc1ccnn1c1ccccc1
• InChI: InChI=1S/C10H10N2O/c13-8-10-6-7-11-12(10)9-4-2-1-3-5-9/h1-7,13H,8H2
• InChIKey: RUSLHNXCXDODKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenyl-1H-pyrazol-5-yl)methanol
• IUPAC Traditional name: (2-phenylpyrazol-3-yl)methanol
• Synonyms: (1-phenyl-1H-pyrazol-5-yl)methanol

Database IDs

• MDL Number: MFCD03086192

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2116787
• LogD (pH = 7.4): 1.2117152
• Log P: 1.2117157
• Molar Refractivity: 51.1131 cm^3
• Polarizability: 19.86725 Å^3
• Polar Surface Area: 38.05 Å^2