ChemSpider 2D Image | [5-Chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]{4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-piperazinyl}methanone | C21H23Cl2N5O2

[5-Chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]{4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-piperazinyl}methanone

  • Molecular FormulaC21H23Cl2N5O2
  • Average mass448.346 Da
  • Monoisotopic mass447.122894 Da
  • ChemSpider ID31041583

More details:

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

[5-Chlor-1-(2-chlorbenzyl)-3-methyl-1H-pyrazol-4-yl]{4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[5-Chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]{4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[5-Chloro-1-(2-chlorobenzyl)-3-méthyl-1H-pyrazol-4-yl]{4-[(3-méthyl-1,2-oxazol-5-yl)méthyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl][4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]- [ACD/Index 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: 636.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.0±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 118.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 97.60
ACD/KOC (pH 5.5): 874.85
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.97
ACD/KOC (pH 7.4): 1057.46
Polar Surface Area: 67 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 318.8±7.0 cm3

Click to predict properties on the Chemicalize site


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