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Search term: JTOIHBDBWBUSAA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-(4-Chloro-3-methyl-1H-pyrazol-1-yl)-1-(3-ethyl-4-isopropyl-1-piperazinyl)ethanone | C15H25ClN4O

2-(4-Chloro-3-methyl-1H-pyrazol-1-yl)-1-(3-ethyl-4-isopropyl-1-piperazinyl)ethanone

  • Molecular FormulaC15H25ClN4O
  • Average mass312.838 Da
  • Monoisotopic mass312.171692 Da
  • ChemSpider ID29476890

More details:






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

2-(4-Chlor-3-methyl-1H-pyrazol-1-yl)-1-(3-ethyl-4-isopropyl-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
2-(4-Chloro-3-methyl-1H-pyrazol-1-yl)-1-(3-ethyl-4-isopropyl-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-(4-Chloro-3-méthyl-1H-pyrazol-1-yl)-1-(3-éthyl-4-isopropyl-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-1-[3-ethyl-4-(1-methylethyl)-1-piperazinyl]- [ACD/Index Name]
2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)-1-[3-ETHYL-4-(PROPAN-2-YL)PIPERAZIN-1-YL]ETHAN-1-ONE
2-(4-CHLORO-3-METHYLPYRAZOL-1-YL)-1-(3-ETHYL-4-ISOPROPYLPIPERAZIN-1-YL)ETHANONE
4-[(4-chloro-3-methyl-1H-pyrazol-1-yl)acetyl]-2-ethyl-1-isopropylpiperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 443.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 222.0±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 86.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.97
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 29.09
ACD/KOC (pH 7.4): 331.08
Polar Surface Area: 41 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 257.3±7.0 cm3

Click to predict properties on the Chemicalize site






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