ChemSpider 2D Image | 3-{1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-N-(3,4-difluorobenzyl)propanamide | C21H27ClF2N4O

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

  • Molecular FormulaC21H27ClF2N4O
  • Average mass424.915 Da
  • Monoisotopic mass424.184143 Da
  • ChemSpider ID22162016

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-(3,4-difluorbenzyl)propanamid [German] [ACD/IUPAC Name]
3-{1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-N-(3,4-difluorobenzyl)propanamide [ACD/IUPAC Name]
3-{1-[(5-Chloro-1,3-diméthyl-1H-pyrazol-4-yl)méthyl]-3-pipéridinyl}-N-(3,4-difluorobenzyl)propanamide [French] [ACD/IUPAC Name]
3-Piperidinepropanamide, 1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 578.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.9±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 10.59
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 76.55
ACD/KOC (pH 7.4): 530.68
Polar Surface Area: 50 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 326.6±7.0 cm3

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