ChemSpider 2D Image | Methyl [1-(4-methoxyphenyl)-4-(1-{[3-(4-morpholinyl)propyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate | C22H30N4O5

Methyl [1-(4-methoxyphenyl)-4-(1-{[3-(4-morpholinyl)propyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

  • Molecular FormulaC22H30N4O5
  • Average mass430.497 Da
  • Monoisotopic mass430.221619 Da
  • ChemSpider ID35419066

More details:

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

[1-(4-Méthoxyphényl)-4-(1-{[3-(4-morpholinyl)propyl]amino}éthylidène)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 4,5-dihydro-1-(4-methoxyphenyl)-4-[1-[[3-(4-morpholinyl)propyl]amino]ethylidene]-5-oxo-, methyl ester [ACD/Index Name]
Methyl [1-(4-methoxyphenyl)-4-(1-{[3-(4-morpholinyl)propyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate [ACD/IUPAC Name]
Methyl-[1-(4-methoxyphenyl)-4-(1-{[3-(4-morpholinyl)propyl]amino}ethyliden)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.0±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 54.83
Polar Surface Area: 93 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 343.4±7.0 cm3

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