N'1-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]cyclopropane-1,1-dicarboxamide

• ChemBase ID: 548486
• Molecular Formular: C20H23FN4O2
• Molecular Mass: 370.4206232
• Monoisotopic Mass: 370.18050422
• SMILES: C1(C(=O)NC2c3c(n(nc3)c3cc(F)ccc3)CC(C2)(C)C)(CC1)C(=O)N
• Canonical SMILES: Fc1cccc(c1)n1ncc2c1CC(C)(C)CC2NC(=O)C1(CC1)C(=O)N
• InChI: InChI=1S/C20H23FN4O2/c1-19(2)9-15(24-18(27)20(6-7-20)17(22)26)14-11-23-25(16(14)10-19)13-5-3-4-12(21)8-13/h3-5,8,11,15H,6-7,9-10H2,1-2H3,(H2,22,26)(H,24,27)
• InChIKey: UOSXBVBZTATGFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]cyclopropane-1,1-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.172435
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2068188
• LogD (pH = 7.4): 2.206893
• Log P: 2.2068946
• Molar Refractivity: 99.2299 cm^3
• Polarizability: 38.221325 Å^3
• Polar Surface Area: 90.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.14
• LOG S: -3.73
• Polar Surface Area: 90.01 Å^2
• Rotatable Bonds: 4