ChemSpider 2D Image | Diethyl 4-{3-[4-(allyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C31H33N3O5

Diethyl 4-{3-[4-(allyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC31H33N3O5
  • Average mass527.611 Da
  • Monoisotopic mass527.242004 Da
  • ChemSpider ID3368050

More details:

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

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[1-phenyl-3-[4-(2-propen-1-yloxy)phenyl]-1H-pyrazol-4-yl]-, diethyl ester [ACD/Index Name]
4-{3-[4-(Allyloxy)phényl]-1-phényl-1H-pyrazol-4-yl}-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4-{3-[4-(allyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diethyl 4-{3-[4-(allyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Diethyl-4-{3-[4-(allyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-diethyl 2,6-dimethyl-4-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
956783-08-7 [RN]
diethyl 2,6-dimethyl-4-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(3-(4-(allyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
ethyl 5-(ethoxycarbonyl)-2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enyloxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 150.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 23993.08
ACD/KOC (pH 5.5): 47478.66
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24060.85
ACD/KOC (pH 7.4): 47612.77
Polar Surface Area: 92 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 446.7±7.0 cm3

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