ChemSpider 2D Image | N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-4-(2,3-dichlorophenoxy)butanamide | C23H22Cl2FN5O2

N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-4-(2,3-dichlorophenoxy)butanamide

  • Molecular FormulaC23H22Cl2FN5O2
  • Average mass490.358 Da
  • Monoisotopic mass489.113464 Da
  • ChemSpider ID70541659

More details:

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

Butanamide, N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl]-4-(2,3-dichlorophenoxy)- [ACD/Index Name]
N-{3-[5-Amino-4-cyan-1-(4-fluorphenyl)-1H-pyrazol-3-yl]propyl}-4-(2,3-dichlorphenoxy)butanamid [German] [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-4-(2,3-dichlorophenoxy)butanamide [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophényl)-1H-pyrazol-3-yl]propyl}-4-(2,3-dichlorophénoxy)butanamide [French] [ACD/IUPAC 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: 733.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.5±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1069.97
ACD/KOC (pH 5.5): 5128.90
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1069.97
ACD/KOC (pH 7.4): 5128.91
Polar Surface Area: 106 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 356.0±7.0 cm3

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