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

• ChemBase ID: 44581
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1[nH]c2c(c1C)c(O)ccc2
• Canonical SMILES: Oc1cccc2c1c(C)n[nH]2
• InChI: InChI=1S/C8H8N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4,11H,1H3,(H,9,10)
• InChIKey: IORFQVZJHMWVSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1H-indazol-4-ol
• IUPAC Traditional name: 3-methyl-1H-indazol-4-ol
• Synonyms: 3-Methyl-1H-indazol-4-ol; 3-Methyl-1H-indazol-4-ol; 4-Hydroxy-3-methyl-1H-indazole

Database IDs

• CAS Number: 149071-05-6
• MDL Number: MFCD09027195
• PubChem SID: 162049344
• PubChem CID: 10701969

CALCULATED PROPERTIES

• Acid pKa: 8.747683
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1235291
• LogD (pH = 7.4): 1.105168
• Log P: 1.1241125
• Molar Refractivity: 42.6455 cm^3
• Polarizability: 17.01283 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 199 °C; 197-199°C

Safety Information

• Storage Condition: Store at 4°C
• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%