ChemSpider 2D Image | 1-{1-[1-(1-Cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(3-fluorophenyl)urea | C22H26FN5O2

1-{1-[1-(1-Cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(3-fluorophenyl)urea

  • Molecular FormulaC22H26FN5O2
  • Average mass411.473 Da
  • Monoisotopic mass411.207062 Da
  • ChemSpider ID22245339

More details:

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

1-{1-[1-(1-Cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(3-fluorophenyl)urea [ACD/IUPAC Name]
1-{1-[1-(1-Cyclohexén-1-ylcarbonyl)-4-pipéridinyl]-1H-pyrazol-5-yl}-3-(3-fluorophényl)urée [French] [ACD/IUPAC Name]
1-{1-[1-(1-Cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(3-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[1-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-N'-(3-fluorophenyl)- [ACD/Index Name]
3-{1-[1-(CYCLOHEX-1-ENE-1-CARBONYL)PIPERIDIN-4-YL]-1H-PYRAZOL-5-YL}-1-(3-FLUOROPHENYL)UREA
3-{2-[1-(CYCLOHEX-1-ENE-1-CARBONYL)PIPERIDIN-4-YL]PYRAZOL-3-YL}-1-(3-FLUOROPHENYL)UREA
N-{1-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-N'-(3-fluorophenyl)urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.6±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.22
ACD/KOC (pH 5.5): 1328.26
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.62
ACD/KOC (pH 7.4): 1331.55
Polar Surface Area: 79 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 305.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement