ChemSpider 2D Image | 1-{1-[2-(4-Bromophenoxy)ethyl]-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl}-3-(3-fluorophenyl)urea | C22H24BrFN4O2

1-{1-[2-(4-Bromophenoxy)ethyl]-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl}-3-(3-fluorophenyl)urea

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID110816772

More details:

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

1-{1-[2-(4-Bromophenoxy)ethyl]-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl}-3-(3-fluorophenyl)urea [ACD/IUPAC Name]
1-{1-[2-(4-Bromophénoxy)éthyl]-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl}-3-(3-fluorophényl)urée [French] [ACD/IUPAC Name]
1-{1-[2-(4-Bromphenoxy)ethyl]-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl}-3-(3-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[1-[2-(4-bromophenoxy)ethyl]-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-N'-(3-fluorophenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.3±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18288.27
ACD/KOC (pH 5.5): 39092.07
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18340.27
ACD/KOC (pH 7.4): 39203.23
Polar Surface Area: 68 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 347.9±7.0 cm3

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