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

• ChemBase ID: 810279
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: c1(nn(c2ccc(cc12)OC)Cc1ccccc1)O
• Canonical SMILES: COc1ccc2c(c1)c(O)nn2Cc1ccccc1
• InChI: InChI=1S/C15H14N2O2/c1-19-12-7-8-14-13(9-12)15(18)16-17(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18)
• InChIKey: VRKMOKDHTGABMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-methoxy-1H-indazol-3-ol
• IUPAC Traditional name: 1-benzyl-5-methoxyindazol-3-ol
• Synonyms: 1-BENZYL-5-METHOXY-1H-INDAZOL-3-OL

CALCULATED PROPERTIES

• Acid pKa: 8.36475
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2770936
• LogD (pH = 7.4): 3.2338576
• Log P: 3.2776778
• Molar Refractivity: 84.6593 cm^3
• Polarizability: 29.133255 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%