ChemSpider 2D Image | 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[3-(Morpholin-4-Yl)propyl]urea | C22H33N5O2

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[3-(Morpholin-4-Yl)propyl]urea

  • Molecular FormulaC22H33N5O2
  • Average mass399.530 Da
  • Monoisotopic mass399.263428 Da
  • ChemSpider ID35033449

More details:






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

1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[3-(4-morpholinyl)propyl]harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[3-(4-morpholinyl)propyl]urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-[3-(4-morpholinyl)propyl]urée [French] [ACD/IUPAC Name]
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[3-(Morpholin-4-Yl)propyl]urea
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[3-(4-morpholinyl)propyl]- [ACD/Index Name]
0SR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 532.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.8±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 37.56
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 147.69
ACD/KOC (pH 7.4): 1089.81
Polar Surface Area: 71 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 342.4±7.0 cm3

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