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

• ChemBase ID: 222734
• Molecular Formular: C24H27N3O5
• Molecular Mass: 437.48828
• Monoisotopic Mass: 437.19507098
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CCNC(=O)c2nn(c3c2Cc2c3cc(c(c2)OC)OC)C)ccc1OC
• InChI: InChI=1S/C24H27N3O5/c1-27-23-16-13-21(32-5)20(31-4)12-15(16)11-17(23)22(26-27)24(28)25-9-8-14-6-7-18(29-2)19(10-14)30-3/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,25,28)
• InChIKey: YPQBVGVINUPQOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278644
• PubChem CID: 39378451

CALCULATED PROPERTIES

• Acid pKa: 7.7601132
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.9271166
• LogD (pH = 7.4): 2.77229
• Log P: 2.9294965
• Molar Refractivity: 132.4778 cm^3
• Polarizability: 47.062164 Å^3
• Polar Surface Area: 83.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds