ChemSpider 2D Image | 2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl 4-methoxy-1-phenyl-1H-pyrazole-3-carboxylate | C31H29N5O4

2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl 4-methoxy-1-phenyl-1H-pyrazole-3-carboxylate

  • Molecular FormulaC31H29N5O4
  • Average mass535.593 Da
  • Monoisotopic mass535.221924 Da
  • ChemSpider ID10941184

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-methoxy-1-phenyl-, 2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino]ethyl ester [ACD/Index Name]
2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl 4-methoxy-1-phenyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl-4-methoxy-1-phenyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
4-Méthoxy-1-phényl-1H-pyrazole-3-carboxylate de 2-oxo-2-{[1-phényl-3-(2,4,5-triméthylphényl)-1H-pyrazol-5-yl]amino}éthyle [French] [ACD/IUPAC 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: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.9±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 153.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5981.25
ACD/KOC (pH 5.5): 17580.00
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5980.99
ACD/KOC (pH 7.4): 17579.25
Polar Surface Area: 100 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 428.0±7.0 cm3

Click to predict properties on the Chemicalize site


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