ChemSpider 2D Image | Isopropyl 4-{(4Z)-4-[(2E)-3-(2-furyl)-2-propen-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate | C21H20N2O4

Isopropyl 4-{(4Z)-4-[(2E)-3-(2-furyl)-2-propen-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate

  • Molecular FormulaC21H20N2O4
  • Average mass364.395 Da
  • Monoisotopic mass364.142303 Da
  • ChemSpider ID31016849

More details:

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

4-{(4Z)-4-[(2E)-3-(2-Furyl)-2-propén-1-ylidène]-3-méthyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(4Z)-4-[(2E)-3-(2-furanyl)-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 4-{(4Z)-4-[(2E)-3-(2-furyl)-2-propen-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate [ACD/IUPAC Name]
Isopropyl-4-{(4Z)-4-[(2E)-3-(2-furyl)-2-propen-1-yliden]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoat [German] [ACD/IUPAC Name]
isopropyl 4-{4-[3-(2-furyl)-2-propenylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.0±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.70
ACD/KOC (pH 5.5): 1917.70
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.70
ACD/KOC (pH 7.4): 1917.71
Polar Surface Area: 72 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 305.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement