ChemSpider 2D Image | 5-Amino-3-(4-{[(5-fluoro-2-methoxybenzoyl)amino]methyl}phenyl)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-pyrazole-4-carboxamide | C22H21F4N5O3

5-Amino-3-(4-{[(5-fluoro-2-methoxybenzoyl)amino]methyl}phenyl)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H21F4N5O3
  • Average mass479.427 Da
  • Monoisotopic mass479.158051 Da
  • ChemSpider ID114875989

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxamide, 5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl]- [ACD/Index Name]
5-Amino-3-(4-{[(5-fluor-2-methoxybenzoyl)amino]methyl}phenyl)-1-[(2S)-1,1,1-trifluor-2-propanyl]-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-3-(4-{[(5-fluoro-2-methoxybenzoyl)amino]methyl}phenyl)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-3-(4-{[(5-fluoro-2-méthoxybenzoyl)amino]méthyl}phényl)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
2101700-15-4 [RN]
5-amino-3-(4-{[(5-fluoro-2-methoxyphenyl)formamido]methyl}phenyl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide
5-amino-3-(4-{[(5-fluoro-2-methoxyphenyl)formamido]methyl}phenyl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide
Pirtobrutinib

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 112.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.16
ACD/KOC (pH 5.5): 557.30
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.16
ACD/KOC (pH 7.4): 557.31
Polar Surface Area: 125 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

Click to predict properties on the Chemicalize site


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