ChemSpider 2D Image | (5E)-1-Cyclohexyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile | C31H29N5O5

(5E)-1-Cyclohexyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile

  • Molecular FormulaC31H29N5O5
  • Average mass551.593 Da
  • Monoisotopic mass551.216858 Da
  • ChemSpider ID12000334

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-1-Cyclohexyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
(5E)-1-Cyclohexyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
(5E)-1-Cyclohexyl-5-{[3-(4-éthoxy-3-nitrophényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-4-méthyl-2,6-dioxo-1,2,5,6-tétrahydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
(5E)-1-Cyclohexyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 1-cyclohexyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-, (5E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 736.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.2±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6095.06
ACD/KOC (pH 5.5): 17818.83
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6095.06
ACD/KOC (pH 7.4): 17818.83
Polar Surface Area: 134 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 415.9±7.0 cm3

Click to predict properties on the Chemicalize site


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