ChemSpider 2D Image | [5-Amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)-4-piperidinyl]phenyl}methanone | C23H26N4O3S

[5-Amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)-4-piperidinyl]phenyl}methanone

  • Molecular FormulaC23H26N4O3S
  • Average mass438.543 Da
  • Monoisotopic mass438.172546 Da
  • ChemSpider ID25057764

More details:

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

[5-Amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)-4-piperidinyl]phenyl}methanon [German] [ACD/IUPAC Name]
[5-Amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)-4-piperidinyl]phenyl}methanone [ACD/IUPAC Name]
[5-Amino-1-(2-méthylphényl)-1H-pyrazol-4-yl]{3-[1-(méthylsulfonyl)-4-pipéridinyl]phényl}méthanone [French] [ACD/IUPAC Name]
[5-Amino-1-(2-Methylphenyl)-1h-Pyrazol-4-Yl]{3-[1-(Methylsulfonyl)piperidin-4-Yl]phenyl}methanone
Methanone, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl][3-[1-(methylsulfonyl)-4-piperidinyl]phenyl]- [ACD/Index Name]
03C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.0±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 275.10
ACD/KOC (pH 5.5): 1939.94
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 275.10
ACD/KOC (pH 7.4): 1939.95
Polar Surface Area: 107 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 327.4±7.0 cm3

Click to predict properties on the Chemicalize site


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