ChemSpider 2D Image | Methyl [(4E)-5-oxo-1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate | C21H18F3N3O3

Methyl [(4E)-5-oxo-1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate

  • Molecular FormulaC21H18F3N3O3
  • Average mass417.381 Da
  • Monoisotopic mass417.130035 Da
  • ChemSpider ID28611821

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4E)-5-Oxo-1-phényl-4-(1-{[2-(trifluorométhyl)phényl]amino}éthylidène)-4,5-dihydro-1H-pyrazol-3-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]amino]ethylidene]-, methyl ester, (4E)- [ACD/Index Name]
Methyl [(4E)-5-oxo-1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate [ACD/IUPAC Name]
Methyl-[(4E)-5-oxo-1-phenyl-4-(1-{[2-(trifluormethyl)phenyl]amino}ethyliden)-4,5-dihydro-1H-pyrazol-3-yl]acetat [German] [ACD/IUPAC Name]
{5-Oxo-1-phenyl-4-[1-(2-trifluoromethyl-phenylamino)-ethylidene]-4,5-dihydro-1H-pyrazol-3-yl}-acetic acid methyl ester
1374510-78-7 [RN]
1H-pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]amino]ethylidene], methyl ester, (4E)
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]amino]ethylidene]-, methyl ester, (4Z)- [ACD/Index Name]
Methyl [(4E)-5-oxo-1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]-amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Methyl [(4Z)-5-oxo-1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 472.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 239.8±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 104.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.53
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 12.51
    ACD/KOC (pH 5.5): 85.39
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 221.76
    ACD/KOC (pH 7.4): 1514.26
    Polar Surface Area: 71 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 40.9±7.0 dyne/cm
    Molar Volume: 318.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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