ChemSpider 2D Image | 2-Chloro-N-(1-{1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide | C22H27ClN6O

2-Chloro-N-(1-{1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide

  • Molecular FormulaC22H27ClN6O
  • Average mass426.942 Da
  • Monoisotopic mass426.193481 Da
  • ChemSpider ID22155890

More details:

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

2-Chlor-N-(1-{1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-(1-{1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide [ACD/IUPAC Name]
2-Chloro-N-(1-{1-[(1-éthyl-5-méthyl-1H-pyrazol-4-yl)méthyl]-4-pipéridinyl}-1H-pyrazol-5-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[1-[1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
2-CHLORO-N-(1-{1-[(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYL]PIPERIDIN-4-YL}-1H-PYRAZOL-5-YL)BENZAMIDE
2-CHLORO-N-(2-{1-[(1-ETHYL-5-METHYLPYRAZOL-4-YL)METHYL]PIPERIDIN-4-YL}PYRAZOL-3-YL)BENZAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.18
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 35.25
ACD/KOC (pH 7.4): 348.96
Polar Surface Area: 68 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 323.8±7.0 cm3

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