[2-(3-methyl-1H-pyrazol-1-yl)pyridin-4-yl]methanol

• ChemBase ID: 234864
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: n1(nc(cc1)C)c1nccc(c1)CO
• Canonical SMILES: OCc1ccnc(c1)n1ccc(n1)C
• InChI: InChI=1S/C10H11N3O/c1-8-3-5-13(12-8)10-6-9(7-14)2-4-11-10/h2-6,14H,7H2,1H3
• InChIKey: XKKRXLNLROQQDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methyl-1H-pyrazol-1-yl)pyridin-4-yl]methanol
• IUPAC Traditional name: [2-(3-methylpyrazol-1-yl)pyridin-4-yl]methanol
• Synonyms: [2-(3-methyl-1H-pyrazol-1-yl)pyridin-4-yl]methanol

Database IDs

• MDL Number: MFCD16770054
• PubChem SID: 164290774
• PubChem CID: 62490553

CALCULATED PROPERTIES

• Acid pKa: 14.823508
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7994789
• LogD (pH = 7.4): 0.7998649
• Log P: 0.79986984
• Molar Refractivity: 53.9837 cm^3
• Polarizability: 20.057182 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 0.798

Product Information

• Purity: 95%