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

• ChemBase ID: 222445
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(c2c(n(n1)C)c1c(C2)cc(c(c1)OC)OC)C(=O)NC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NC(C)C
• InChI: InChI=1S/C17H21N3O3/c1-9(2)18-17(21)15-12-6-10-7-13(22-4)14(23-5)8-11(10)16(12)20(3)19-15/h7-9H,6H2,1-5H3,(H,18,21)
• InChIKey: SASPOCDYVGTKKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278355
• PubChem CID: 39378100

CALCULATED PROPERTIES

• Acid pKa: 7.759928
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0027068
• LogD (pH = 7.4): 1.8478249
• Log P: 2.0050876
• Molar Refractivity: 99.3512 cm^3
• Polarizability: 34.27048 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds