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

• ChemBase ID: 222006
• Molecular Formular: C23H25N3O4
• Molecular Mass: 407.4623
• Monoisotopic Mass: 407.1845063
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)c1nn(c2c1Cc1c2cc(c(c1)OC)OC)C
• InChI: InChI=1S/C23H25N3O4/c1-26-22-17-13-20(30-4)19(29-3)12-15(17)11-18(22)21(25-26)23(27)24-10-9-14-5-7-16(28-2)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,24,27)
• InChIKey: QPADHUXFHDPGSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277916
• PubChem CID: 39377530

CALCULATED PROPERTIES

• Acid pKa: 7.7601132
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.0847878
• LogD (pH = 7.4): 2.9299612
• Log P: 3.0871677
• Molar Refractivity: 126.0146 cm^3
• Polarizability: 44.53907 Å^3
• Polar Surface Area: 74.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds