1-methyl-1H-indazol-4-ol

• ChemBase ID: 87399
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1cc2c(cccc2n1C)O
• Canonical SMILES: Oc1cccc2c1cnn2C
• InChI: InChI=1S/C8H8N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h2-5,11H,1H3
• InChIKey: FMTRKWLCVGCOIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-4-ol
• IUPAC Traditional name: 1-methylindazol-4-ol
• Synonyms: 4-Hydroxy-1-methyl-1H-indazole; 1-Methyl-1H-indazol-4-ol

Database IDs

• CAS Number: 144528-23-4
• MDL Number: MFCD11869776
• PubChem SID: 162074498
• PubChem CID: 10534807

CALCULATED PROPERTIES

• Acid pKa: 8.782768
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.116169
• LogD (pH = 7.4): 1.0989178
• Log P: 1.1164185
• Molar Refractivity: 53.27 cm^3
• Polarizability: 17.012579 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant