ChemSpider 2D Image | 3-{1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-N-[4-(trifluoromethyl)phenyl]propanamide | C21H26ClF3N4O

3-{1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-N-[4-(trifluoromethyl)phenyl]propanamide

  • Molecular FormulaC21H26ClF3N4O
  • Average mass442.905 Da
  • Monoisotopic mass442.174713 Da
  • ChemSpider ID23069323

More details:

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

3-{1-[(5-Chlor-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-N-[4-(trifluormethyl)phenyl]propanamid [German] [ACD/IUPAC Name]
3-{1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-N-[4-(trifluoromethyl)phenyl]propanamide [ACD/IUPAC Name]
3-{1-[(5-Chloro-1,3-diméthyl-1H-pyrazol-4-yl)méthyl]-3-pipéridinyl}-N-[4-(trifluorométhyl)phényl]propanamide [French] [ACD/IUPAC Name]
3-Piperidinepropanamide, 1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.5±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 5.41
ACD/KOC (pH 5.5): 26.44
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 269.87
ACD/KOC (pH 7.4): 1319.08
Polar Surface Area: 50 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 334.8±7.0 cm3

Click to predict properties on the Chemicalize site


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