ChemSpider 2D Image | [1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-1H-pyrazol-3-yl](3,5-dimethyl-1-piperidinyl)methanone | C22H29ClFN3O

[1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-1H-pyrazol-3-yl](3,5-dimethyl-1-piperidinyl)methanone

  • Molecular FormulaC22H29ClFN3O
  • Average mass405.937 Da
  • Monoisotopic mass405.198303 Da
  • ChemSpider ID67461546

More details:

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

[1-(2-Chlor-6-fluorbenzyl)-5-isobutyl-1H-pyrazol-3-yl](3,5-dimethyl-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
[1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-1H-pyrazol-3-yl](3,5-dimethyl-1-piperidinyl)methanone [ACD/IUPAC Name]
[1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-1H-pyrazol-3-yl](3,5-diméthyl-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)-1H-pyrazol-3-yl](3,5-dimethyl-1-piperidinyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2404.35
ACD/KOC (pH 5.5): 9156.12
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2404.40
ACD/KOC (pH 7.4): 9156.32
Polar Surface Area: 38 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 333.4±7.0 cm3

Click to predict properties on the Chemicalize site


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