2-[(1-benzyl-5-methoxy-1H-indazol-3-yl)oxy]acetonitrile

• ChemBase ID: 810284
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: C(C#N)Oc1nn(c2ccc(cc12)OC)Cc1ccccc1
• Canonical SMILES: N#CCOc1nn(c2c1cc(OC)cc2)Cc1ccccc1
• InChI: InChI=1S/C17H15N3O2/c1-21-14-7-8-16-15(11-14)17(22-10-9-18)19-20(16)12-13-5-3-2-4-6-13/h2-8,11H,10,12H2,1H3
• InChIKey: UOOQAHNCMXQILL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-benzyl-5-methoxy-1H-indazol-3-yl)oxy]acetonitrile
• IUPAC Traditional name: 2-[(1-benzyl-5-methoxyindazol-3-yl)oxy]acetonitrile
• Synonyms: 2-(1-BENZYL-5-METHOXY-1H-INDAZOL-3-YLOXY)ACETONITRILE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9595025
• LogD (pH = 7.4): 2.9595041
• Log P: 2.9595041
• Molar Refractivity: 94.2055 cm^3
• Polarizability: 32.719463 Å^3
• Polar Surface Area: 60.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%