ChemSpider 2D Image | 2-{[3-(2-Methyl-2-propanyl)-1-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl 3-(1-benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)acrylate | C29H30ClN5O3

2-{[3-(2-Methyl-2-propanyl)-1-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl 3-(1-benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)acrylate

  • Molecular FormulaC29H30ClN5O3
  • Average mass532.033 Da
  • Monoisotopic mass531.203735 Da
  • ChemSpider ID3181510

More details:

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

2-{[3-(2-Methyl-2-propanyl)-1-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl 3-(1-benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)acrylate [ACD/IUPAC Name]
2-{[3-(2-Methyl-2-propanyl)-1-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl-3-(1-benzyl-5-chlor-3-methyl-1H-pyrazol-4-yl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-, 2-[[3-(1,1-dimethylethyl)-1-phenyl-1H-pyrazol-5-yl]amino]-2-oxoethyl ester [ACD/Index Name]
3-(1-Benzyl-5-chloro-3-méthyl-1H-pyrazol-4-yl)acrylate de 2-{[3-(2-méthyl-2-propanyl)-1-phényl-1H-pyrazol-5-yl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.5±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 150.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5783.33
ACD/KOC (pH 5.5): 17161.44
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5783.48
ACD/KOC (pH 7.4): 17161.90
Polar Surface Area: 91 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 432.7±7.0 cm3

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