ChemSpider 2D Image | (4-Chlorophenyl){1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone | C21H28ClN3O

(4-Chlorophenyl){1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID22197509

More details:

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

(4-Chlorophenyl){1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone [ACD/IUPAC Name]
(4-Chlorophényl){1-[(1-isopropyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-3-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
(4-Chlorphenyl){1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (4-chlorophenyl)[1-[[3,5-dimethyl-1-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-3-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: 497.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.7±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 32.40
ACD/KOC (pH 5.5): 126.58
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1164.03
ACD/KOC (pH 7.4): 4548.06
Polar Surface Area: 38 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

Click to predict properties on the Chemicalize site


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