6,7-dimethoxy-1-methyl-N-(2-phenylethyl)-1H,4H-indeno[1,2-c]pyrazole-3-carboxamide

• ChemBase ID: 222025
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCCc1ccccc1
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NCCc1ccccc1
• InChI: InChI=1S/C22H23N3O3/c1-25-21-16-13-19(28-3)18(27-2)12-15(16)11-17(21)20(24-25)22(26)23-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,23,26)
• InChIKey: GCVXSLUFBAWUHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-1-methyl-N-(2-phenylethyl)-1H,4H-indeno[1,2-c]pyrazole-3-carboxamide
• IUPAC Traditional name: 6,7-dimethoxy-1-methyl-N-(2-phenylethyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide

Database IDs

• PubChem SID: 164277935
• PubChem CID: 39377563

CALCULATED PROPERTIES

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 7.7601132
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.242459
• LogD (pH = 7.4): 3.0876324
• Log P: 3.244839
• Molar Refractivity: 119.5514 cm^3
• Polarizability: 42.02481 Å^3
• Polar Surface Area: 65.38 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds