ChemSpider 2D Image | [4-(Hydroxymethyl)-1-piperidinyl](5-methyl-1-{4-[2-(trifluoromethyl)phenyl]-2-pyrimidinyl}-1H-pyrazol-4-yl)methanone | C22H22F3N5O2

[4-(Hydroxymethyl)-1-piperidinyl](5-methyl-1-{4-[2-(trifluoromethyl)phenyl]-2-pyrimidinyl}-1H-pyrazol-4-yl)methanone

  • Molecular FormulaC22H22F3N5O2
  • Average mass445.438 Da
  • Monoisotopic mass445.172546 Da
  • ChemSpider ID22197260

More details:

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

[4-(Hydroxymethyl)-1-piperidinyl](5-methyl-1-{4-[2-(trifluormethyl)phenyl]-2-pyrimidinyl}-1H-pyrazol-4-yl)methanon [German] [ACD/IUPAC Name]
[4-(Hydroxymethyl)-1-piperidinyl](5-methyl-1-{4-[2-(trifluoromethyl)phenyl]-2-pyrimidinyl}-1H-pyrazol-4-yl)methanone [ACD/IUPAC Name]
[4-(Hydroxyméthyl)-1-pipéridinyl](5-méthyl-1-{4-[2-(trifluorométhyl)phényl]-2-pyrimidinyl}-1H-pyrazol-4-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(hydroxymethyl)-1-piperidinyl][5-methyl-1-[4-[2-(trifluoromethyl)phenyl]-2-pyrimidinyl]-1H-pyrazol-4-yl]- [ACD/Index Name]
[1-(5-METHYL-1-{4-[2-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-YL}-1H-PYRAZOLE-4-CARBONYL)PIPERIDIN-4-YL]METHANOL
[1-(5-METHYL-1-{4-[2-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-YL}PYRAZOLE-4-CARBONYL)PIPERIDIN-4-YL]METHANOL
{1-[(5-methyl-1-{4-[2-(trifluoromethyl)phenyl]-2-pyrimidinyl}-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl}methanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.0±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.72
ACD/KOC (pH 5.5): 250.07
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.72
ACD/KOC (pH 7.4): 250.07
Polar Surface Area: 84 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 315.9±7.0 cm3

Click to predict properties on the Chemicalize site


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