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

• ChemBase ID: 222388
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NCC(C)C
• InChI: InChI=1S/C18H23N3O3/c1-10(2)9-19-18(22)16-13-6-11-7-14(23-4)15(24-5)8-12(11)17(13)21(3)20-16/h7-8,10H,6,9H2,1-5H3,(H,19,22)
• InChIKey: YGKZWJPBXXWZTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278298
• PubChem CID: 39378044

CALCULATED PROPERTIES

• Acid pKa: 7.7601156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.473628
• LogD (pH = 7.4): 2.318802
• Log P: 2.476008
• Molar Refractivity: 103.928 cm^3
• Polarizability: 36.111168 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