1-benzyl-5-methyl-1H-indazol-3-ol

• ChemBase ID: 810278
• Molecular Formular: C15H14N2O
• Molecular Mass: 238.28446
• Monoisotopic Mass: 238.11061308
• SMILES: c1(nn(c2ccc(cc12)C)Cc1ccccc1)O
• Canonical SMILES: Cc1ccc2c(c1)c(O)nn2Cc1ccccc1
• InChI: InChI=1S/C15H14N2O/c1-11-7-8-14-13(9-11)15(18)16-17(14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18)
• InChIKey: JXZGYYGPFMSMGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-methyl-1H-indazol-3-ol
• IUPAC Traditional name: 1-benzyl-5-methylindazol-3-ol
• Synonyms: 1-BENZYL-5-METHYL-1H-INDAZOL-3-OL

CALCULATED PROPERTIES

• Acid pKa: 8.214628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9479475
• LogD (pH = 7.4): 3.8881497
• Log P: 3.9487705
• Molar Refractivity: 83.2373 cm^3
• Polarizability: 28.41303 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%