ChemSpider 2D Image | 2-(4-Methoxyphenyl)-4-(1-{[2-(4-morpholinyl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one | C21H30N4O3

2-(4-Methoxyphenyl)-4-(1-{[2-(4-morpholinyl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC21H30N4O3
  • Average mass386.488 Da
  • Monoisotopic mass386.231781 Da
  • ChemSpider ID35321456

More details:

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

2-(4-Methoxyphenyl)-4-(1-{[2-(4-morpholinyl)ethyl]amino}ethyliden)-5-propyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
2-(4-Methoxyphenyl)-4-(1-{[2-(4-morpholinyl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
2-(4-Méthoxyphényl)-4-(1-{[2-(4-morpholinyl)éthyl]amino}éthylidène)-5-propyl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2,4-dihydro-2-(4-methoxyphenyl)-4-[1-[[2-(4-morpholinyl)ethyl]amino]ethylidene]-5-propyl- [ACD/Index 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: 522.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 3.26
ACD/KOC (pH 7.4): 50.10
Polar Surface Area: 66 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 323.6±7.0 cm3

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