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

• ChemBase ID: 221975
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: c1(c2c(n(n1)C)c1c(C2)cc(c(c1)OC)OC)C(=O)NC(c1ccccc1)C
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NC(c1ccccc1)C
• InChI: InChI=1S/C22H23N3O3/c1-13(14-8-6-5-7-9-14)23-22(26)20-17-10-15-11-18(27-3)19(28-4)12-16(15)21(17)25(2)24-20/h5-9,11-13H,10H2,1-4H3,(H,23,26)
• InChIKey: IVSPARFDJFVDOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277885
• PubChem CID: 42648934

CALCULATED PROPERTIES

• Acid pKa: 7.7596703
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3703706
• LogD (pH = 7.4): 3.2154117
• Log P: 3.372753
• Molar Refractivity: 119.2152 cm^3
• Polarizability: 42.022312 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