ChemSpider 2D Image | (4-Benzyl-1-piperazinyl)[4-chloro-5-(3,4-dichlorophenyl)-1-methyl-1H-pyrazol-3-yl]methanone | C22H21Cl3N4O

(4-Benzyl-1-piperazinyl)[4-chloro-5-(3,4-dichlorophenyl)-1-methyl-1H-pyrazol-3-yl]methanone

  • Molecular FormulaC22H21Cl3N4O
  • Average mass463.787 Da
  • Monoisotopic mass462.078094 Da
  • ChemSpider ID67535963

More details:

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

(4-Benzyl-1-piperazinyl)[4-chlor-5-(3,4-dichlorphenyl)-1-methyl-1H-pyrazol-3-yl]methanon [German] [ACD/IUPAC Name]
(4-Benzyl-1-piperazinyl)[4-chloro-5-(3,4-dichlorophenyl)-1-methyl-1H-pyrazol-3-yl]methanone [ACD/IUPAC Name]
(4-Benzyl-1-pipérazinyl)[4-chloro-5-(3,4-dichlorophényl)-1-méthyl-1H-pyrazol-3-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-chloro-5-(3,4-dichlorophenyl)-1-methyl-1H-pyrazol-3-yl][4-(phenylmethyl)-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: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 537.73
ACD/KOC (pH 5.5): 2083.20
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2175.38
ACD/KOC (pH 7.4): 8427.58
Polar Surface Area: 41 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 333.9±7.0 cm3

Click to predict properties on the Chemicalize site


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