ChemSpider 2D Image | 3-{1-[3-(1H-Pyrazol-1-yl)propyl]-3-piperidinyl}-N-[4-(trifluoromethyl)phenyl]propanamide | C21H27F3N4O

3-{1-[3-(1H-Pyrazol-1-yl)propyl]-3-piperidinyl}-N-[4-(trifluoromethyl)phenyl]propanamide

  • Molecular FormulaC21H27F3N4O
  • Average mass408.461 Da
  • Monoisotopic mass408.213684 Da
  • ChemSpider ID22164475

More details:

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

3-{1-[3-(1H-Pyrazol-1-yl)propyl]-3-piperidinyl}-N-[4-(trifluormethyl)phenyl]propanamid [German] [ACD/IUPAC Name]
3-{1-[3-(1H-Pyrazol-1-yl)propyl]-3-piperidinyl}-N-[4-(trifluoromethyl)phenyl]propanamide [ACD/IUPAC Name]
3-{1-[3-(1H-Pyrazol-1-yl)propyl]-3-pipéridinyl}-N-[4-(trifluorométhyl)phényl]propanamide [French] [ACD/IUPAC Name]
3-Piperidinepropanamide, 1-[3-(1H-pyrazol-1-yl)propyl]-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-{1-[3-(1H-PYRAZOL-1-YL)PROPYL]PIPERIDIN-3-YL}-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
3-{1-[3-(PYRAZOL-1-YL)PROPYL]PIPERIDIN-3-YL}-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 9.10
ACD/KOC (pH 7.4): 53.26
Polar Surface Area: 50 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 327.3±7.0 cm3

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