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

• ChemBase ID: 222708
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c1(c2c(n(n1)C)c1c(C2)cc(c(c1)OC)OC)C(=O)Nc1ccc(cc1)C(C)C
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C23H25N3O3/c1-13(2)14-6-8-16(9-7-14)24-23(27)21-18-10-15-11-19(28-4)20(29-5)12-17(15)22(18)26(3)25-21/h6-9,11-13H,10H2,1-5H3,(H,24,27)
• InChIKey: VQBDGQCZEFRHLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278618
• PubChem CID: 39378410

CALCULATED PROPERTIES

• Acid pKa: 6.7954903
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.472834
• LogD (pH = 7.4): 3.793997
• Log P: 4.4942822
• Molar Refractivity: 125.933 cm^3
• Polarizability: 43.974865 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds