6,7-dimethoxy-N,1-dimethyl-1H,4H-indeno[1,2-c]pyrazole-3-carboxamide

• ChemBase ID: 222052
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NC
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NC
• InChI: InChI=1S/C15H17N3O3/c1-16-15(19)13-10-5-8-6-11(20-3)12(21-4)7-9(8)14(10)18(2)17-13/h6-7H,5H2,1-4H3,(H,16,19)
• InChIKey: SNLHSYTVTKMCGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277962
• PubChem CID: 39377599

CALCULATED PROPERTIES

• Acid pKa: 7.760343
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2293261
• LogD (pH = 7.4): 1.0745679
• Log P: 1.2317047
• Molar Refractivity: 90.1838 cm^3
• Polarizability: 30.591116 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds