ChemSpider 2D Image | 2-Chloro-N-{1-[1-(4-isopropylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide | C25H29ClN4O

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

  • Molecular FormulaC25H29ClN4O
  • Average mass436.977 Da
  • Monoisotopic mass436.203003 Da
  • ChemSpider ID22225085

More details:

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

2-Chlor-N-{1-[1-(4-isopropylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-{1-[1-(4-isopropylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide [ACD/IUPAC Name]
2-Chloro-N-{1-[1-(4-isopropylbenzyl)-4-pipéridinyl]-1H-pyrazol-5-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[1-[1-[[4-(1-methylethyl)phenyl]methyl]-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
2-CHLORO-N-(2-{1-[(4-ISOPROPYLPHENYL)METHYL]PIPERIDIN-4-YL}PYRAZOL-3-YL)BENZAMIDE
2-CHLORO-N-[1-(1-{[4-(PROPAN-2-YL)PHENYL]METHYL}PIPERIDIN-4-YL)-1H-PYRAZOL-5-YL]BENZAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.4±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 10.84
ACD/KOC (pH 5.5): 40.94
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 552.31
ACD/KOC (pH 7.4): 2085.00
Polar Surface Area: 50 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 356.5±7.0 cm3

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