ChemSpider 2D Image | Methyl (2E)-3-(dimethylamino)-2-{(4Z)-4-[(dimethylamino)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acrylate | C18H22N4O3

Methyl (2E)-3-(dimethylamino)-2-{(4Z)-4-[(dimethylamino)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acrylate

  • Molecular FormulaC18H22N4O3
  • Average mass342.392 Da
  • Monoisotopic mass342.169189 Da
  • ChemSpider ID23082574

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(Diméthylamino)-2-{(4Z)-4-[(diméthylamino)méthylène]-5-oxo-1-phényl-4,5-dihydro-1H-pyrazol-3-yl}acrylate de méthyle [French] [ACD/IUPAC Name]
1152430-03-9 [RN]
1H-Pyrazole-3-acetic acid, α,4-bis[(dimethylamino)methylene]-4,5-dihydro-5-oxo-1-phenyl-, methyl ester, (αE,4Z)- [ACD/Index Name]
methyl (2E)-3-(dimethylamino)-2-[(4Z)-4-[(dimethylamino)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]prop-2-enoate
Methyl (2E)-3-(dimethylamino)-2-{(4Z)-4-[(dimethylamino)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acrylate [ACD/IUPAC Name]
methyl (2E)-3-(dimethylamino)-2-{(4Z)-4-[(dimethylamino)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}prop-2-enoate
Methyl-(2E)-3-(dimethylamino)-2-{(4Z)-4-[(dimethylamino)methylen]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acrylat [German] [ACD/IUPAC Name]
1H-pyrazole-3-acetic acid, α,4-bis[(dimethylamino)methylene]-4,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4Z)
1H-pyrazole-3-acetic acid, α,4-bis[(dimethylamino)methylene]-4,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4Z)-
METHYL (2E)-3-(DIMETHYLAMINO)-2-[(4Z)-4-[(DIMETHYLAMINO)METHYLIDENE]-5-OXO-1-PHENYLPYRAZOL-3-YL]PROP-2-ENOATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 431.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.7±3.0 kJ/mol
    Flash Point: 214.5±31.5 °C
    Index of Refraction: 1.565
    Molar Refractivity: 97.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): -0.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.65
    ACD/LogD (pH 7.4): 1.04
    ACD/BCF (pH 7.4): 2.97
    ACD/KOC (pH 7.4): 59.47
    Polar Surface Area: 65 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 40.6±7.0 dyne/cm
    Molar Volume: 299.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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