ChemSpider 2D Image | (4-Chloro-2-methylphenyl){1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone | C21H28ClN3O

(4-Chloro-2-methylphenyl){1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID23068264

More details:

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

(4-Chlor-2-methylphenyl){1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanon [German] [ACD/IUPAC Name]
(4-Chloro-2-methylphenyl){1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone [ACD/IUPAC Name]
(4-Chloro-2-méthylphényl){1-[(5-méthyl-1-propyl-1H-pyrazol-4-yl)méthyl]-3-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4-chloro-2-methylphenyl)[1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl]- [ACD/Index Name]
3-(4-CHLORO-2-METHYLBENZOYL)-1-[(5-METHYL-1-PROPYL-1H-PYRAZOL-4-YL)METHYL]PIPERIDINE
3-(4-CHLORO-2-METHYLBENZOYL)-1-[(5-METHYL-1-PROPYLPYRAZOL-4-YL)METHYL]PIPERIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 24.64
ACD/KOC (pH 5.5): 105.15
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 869.29
ACD/KOC (pH 7.4): 3709.20
Polar Surface Area: 38 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 315.3±7.0 cm3

Click to predict properties on the Chemicalize site


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