ChemSpider 2D Image | 3-[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazole-4-carbonitrile | C27H21N3O2

3-[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC27H21N3O2
  • Average mass419.474 Da
  • Monoisotopic mass419.163391 Da
  • ChemSpider ID30656562

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-4-carbonitrile, 3-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-1-(4-methylphenyl)-5-phenyl- [ACD/Index Name]
3-[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-[(2E)-3-(4-Méthoxyphényl)-2-propenoyl]-1-(4-méthylphényl)-5-phényl-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 127.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2586.61
ACD/KOC (pH 5.5): 9647.82
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2586.61
ACD/KOC (pH 7.4): 9647.82
Polar Surface Area: 68 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 367.1±7.0 cm3

Click to predict properties on the Chemicalize site


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