ChemSpider 2D Image | 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[2-(Morpholin-4-Yl)ethyl]urea | C21H31N5O2

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[2-(Morpholin-4-Yl)ethyl]urea

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID35033451

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.4±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 15.48
ACD/KOC (pH 5.5): 125.83
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 148.61
ACD/KOC (pH 7.4): 1207.58
Polar Surface Area: 71 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 326.3±7.0 cm3

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