ChemSpider 2D Image | Methyl {(4E)-1-(4-fluorophenyl)-4-[1-(4-morpholinylamino)propylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate | C19H23FN4O4

Methyl {(4E)-1-(4-fluorophenyl)-4-[1-(4-morpholinylamino)propylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate

  • Molecular FormulaC19H23FN4O4
  • Average mass390.409 Da
  • Monoisotopic mass390.170319 Da
  • ChemSpider ID23082556

  • Double-bond stereo - Double-bond stereo

More details:

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

{(4E)-1-(4-Fluorophényl)-4-[1-(4-morpholinylamino)propylidène]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 1-(4-fluorophenyl)-4,5-dihydro-4-[1-(4-morpholinylamino)propylidene]-5-oxo-, methyl ester, (4E)- [ACD/Index Name]
Methyl {(4E)-1-(4-fluorophenyl)-4-[1-(4-morpholinylamino)propylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate [ACD/IUPAC Name]
methyl {(4E)-1-(4-fluorophenyl)-4-[1-(morpholin-4-ylamino)propylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Methyl-{(4E)-1-(4-fluorphenyl)-4-[1-(4-morpholinylamino)propyliden]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetat [German] [ACD/IUPAC Name]
METHYL 2-[(4E)-1-(4-FLUOROPHENYL)-4-[1-(MORPHOLIN-4-YLAMINO)PROPYLIDENE]-5-OXOPYRAZOL-3-YL]ACETATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.6±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 100.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.48
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 78.97
Polar Surface Area: 83 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 292.5±7.0 cm3

Click to predict properties on the Chemicalize site


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