ChemSpider 2D Image | Ethyl (4-{3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate | C17H18F3N3O4

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

  • Molecular FormulaC17H18F3N3O4
  • Average mass385.338 Da
  • Monoisotopic mass385.124939 Da
  • ChemSpider ID32515187

More details:

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

(4-{3-Amino-3-oxo-1-[4-(trifluorométhyl)phényl]propyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 4-[3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-2,5-dihydro-5-oxo-, ethyl ester [ACD/Index Name]
Ethyl (4-{3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate [ACD/IUPAC Name]
Ethyl-(4-{3-amino-3-oxo-1-[4-(trifluormethyl)phenyl]propyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetat [German] [ACD/IUPAC Name]
1630905-55-3 [RN]
ethyl (4-{3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl}-3-hydroxy-1H-pyrazol-5-yl)acetate
ethyl 2-[4-[3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-5-oxo-1,2-dihydropyrazol-3-yl]acetate
MolPort-035-704-970

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.523
    Molar Refractivity: 87.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.32
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.13
    ACD/KOC (pH 5.5): 195.09
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 9.27
    ACD/KOC (pH 7.4): 162.63
    Polar Surface Area: 111 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 287.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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