ChemSpider 2D Image | 1-(3-Fluorophenyl)-3-{1-[1-(spiro[2.3]hex-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea | C22H26FN5O2

1-(3-Fluorophenyl)-3-{1-[1-(spiro[2.3]hex-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea

  • Molecular FormulaC22H26FN5O2
  • Average mass411.473 Da
  • Monoisotopic mass411.207062 Da
  • ChemSpider ID23073713

More details:

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

1-(3-Fluorophenyl)-3-{1-[1-(spiro[2.3]hex-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea [ACD/IUPAC Name]
1-(3-Fluorophényl)-3-{1-[1-(spiro[2.3]hex-1-ylcarbonyl)-4-pipéridinyl]-1H-pyrazol-5-yl}urée [French] [ACD/IUPAC Name]
1-(3-Fluorphenyl)-3-{1-[1-(spiro[2.3]hex-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}harnstoff [German] [ACD/IUPAC Name]
Urea, N-(3-fluorophenyl)-N'-[1-[1-(spiro[2.3]hex-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
1-(3-FLUOROPHENYL)-3-[1-(1-{SPIRO[2.3]HEXANE-1-CARBONYL}PIPERIDIN-4-YL)-1H-PYRAZOL-5-YL]UREA
1-(3-FLUOROPHENYL)-3-[2-(1-{SPIRO[2.3]HEXANE-1-CARBONYL}PIPERIDIN-4-YL)PYRAZOL-3-YL]UREA
N-(3-fluorophenyl)-N'-{1-[1-(spiro[2.3]hex-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea

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

Density: 1.5±0.1 g/cm3
Boiling Point: 545.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.8±30.1 °C
Index of Refraction: 1.710
Molar Refractivity: 110.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 123.75
ACD/KOC (pH 5.5): 1094.29
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.05
ACD/KOC (pH 7.4): 1097.00
Polar Surface Area: 79 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 282.5±7.0 cm3

Click to predict properties on the Chemicalize site


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