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

• ChemBase ID: 274213
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: n1(ncc(c1)CO)c1cnccc1
• Canonical SMILES: OCc1cnn(c1)c1cccnc1
• InChI: InChI=1S/C9H9N3O/c13-7-8-4-11-12(6-8)9-2-1-3-10-5-9/h1-6,13H,7H2
• InChIKey: FJXAUJSSGHQBEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838749
• PubChem SID: 164330123
• PubChem CID: 54593072

CALCULATED PROPERTIES

• Acid pKa: 14.569938
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.025867717
• LogD (pH = 7.4): 0.07258743
• Log P: 0.07404213
• Molar Refractivity: 49.0787 cm^3
• Polarizability: 18.963282 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.079

Product Information

• Purity: 95%