ChemSpider 2D Image | Methyl 3-(dimethylamino)-2-{4-[(dimethylamino)methylene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acrylate | C19H24N4O4

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

  • Molecular FormulaC19H24N4O4
  • Average mass372.418 Da
  • Monoisotopic mass372.179749 Da
  • ChemSpider ID29843091

More details:

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

1379821-58-5 [RN]
1H-Pyrazole-3-acetic acid, α,4-bis[(dimethylamino)methylene]-4,5-dihydro-1-(4-methoxyphenyl)-5-oxo-, methyl ester [ACD/Index Name]
3-(Diméthylamino)-2-{4-[(diméthylamino)méthylène]-1-(4-méthoxyphényl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acrylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(dimethylamino)-2-{4-[(dimethylamino)methylene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acrylate [ACD/IUPAC Name]
Methyl-3-(dimethylamino)-2-{4-[(dimethylamino)methylen]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acrylat [German] [ACD/IUPAC Name]
Methyl (2E)-3-(dimethylamino)-2-[(4Z)-4-[(dimethylamino)methylene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acrylate [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: 475.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.3±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 103.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 54.61
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 132.81
Polar Surface Area: 75 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 320.8±7.0 cm3

Click to predict properties on the Chemicalize site


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