(1-methyl-1H-indazol-5-yl)methanol

• ChemBase ID: 87418
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: n1(c2ccc(cc2cn1)CO)C
• Canonical SMILES: OCc1ccc2c(c1)cnn2C
• InChI: InChI=1S/C9H10N2O/c1-11-9-3-2-7(6-12)4-8(9)5-10-11/h2-5,12H,6H2,1H3
• InChIKey: ASOJENREUJHTMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-5-yl)methanol
• IUPAC Traditional name: (1-methylindazol-5-yl)methanol
• Synonyms: (1-Methyl-1H-indazol-5-yl)methanol; 5-(Hydroxymethyl)-1-methyl-1H-indazole

Database IDs

• PubChem SID: 162104510
• PubChem CID: 44119264

CALCULATED PROPERTIES

• Acid pKa: 14.889099
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6526197
• LogD (pH = 7.4): 0.6526338
• Log P: 0.65263397
• Molar Refractivity: 58.105 cm^3
• Polarizability: 18.86664 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant