ChemSpider 2D Image | 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(5-Hydroxypentyl)urea | C20H30N4O2

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

  • Molecular FormulaC20H30N4O2
  • Average mass358.478 Da
  • Monoisotopic mass358.236877 Da
  • ChemSpider ID35033453

More details:

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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.6±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 276.00
ACD/KOC (pH 5.5): 1944.20
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.16
ACD/KOC (pH 7.4): 1945.30
Polar Surface Area: 79 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 318.8±7.0 cm3

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