[1-(2,6-difluorophenyl)-1H-pyrazol-3-yl]methanol

• ChemBase ID: 243518
• Molecular Formular: C10H8F2N2O
• Molecular Mass: 210.1801264
• Monoisotopic Mass: 210.06046933
• SMILES: n1(nc(cc1)CO)c1c(F)cccc1F
• Canonical SMILES: OCc1ccn(n1)c1c(F)cccc1F
• InChI: InChI=1S/C10H8F2N2O/c11-8-2-1-3-9(12)10(8)14-5-4-7(6-15)13-14/h1-5,15H,6H2
• InChIKey: QCPHHRWDWBGNEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,6-difluorophenyl)-1H-pyrazol-3-yl]methanol
• IUPAC Traditional name: [1-(2,6-difluorophenyl)pyrazol-3-yl]methanol
• Synonyms: [1-(2,6-difluorophenyl)-1H-pyrazol-3-yl]methanol

Database IDs

• MDL Number: MFCD21304383
• PubChem SID: 164299428
• PubChem CID: 65813873

CALCULATED PROPERTIES

• Acid pKa: 14.046505
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6585809
• LogD (pH = 7.4): 1.6585901
• Log P: 1.6585903
• Molar Refractivity: 51.1462 cm^3
• Polarizability: 19.282312 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.558

Product Information

• Purity: 95%