ChemSpider 2D Image | Diisobutyl 4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C34H41N3O4

Diisobutyl 4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC34H41N3O4
  • Average mass555.707 Da
  • Monoisotopic mass555.309692 Da
  • ChemSpider ID4391519

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,5-Pyridinedicarboxylic acid, 4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, bis(2-methylpropyl) ester [ACD/Index Name]
4-[3-(2,5-Diméthylphényl)-1-phényl-1H-pyrazol-4-yl]-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diisobutyle [French] [ACD/IUPAC Name]
Diisobutyl 4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diisobutyl 4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Diisobutyl-4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
2-methylpropyl 4-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-5-[(2-methylpropyl)oxycarbonyl]-1,4-dihydropyridine-3-carboxylate
3,5-bis(2-methylpropyl) 4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
bis(2-methylpropyl) 4-[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
diisobutyl 4-(3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 649.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.4±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.03
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 306744.53
ACD/KOC (pH 5.5): 294293.41
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 307305.13
ACD/KOC (pH 7.4): 294831.25
Polar Surface Area: 82 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 485.8±7.0 cm3

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