ChemSpider 2D Image | N-[(3S)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-3-pyrrolidinyl]acetamide | C24H28N8O

N-[(3S)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-3-pyrrolidinyl]acetamide

  • Molecular FormulaC24H28N8O
  • Average mass444.532 Da
  • Monoisotopic mass444.238617 Da
  • ChemSpider ID58937887

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[(3S)-1-[3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-pyrrolidinyl]- [ACD/Index Name]
N-[(3S)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-3-pyrrolidinyl]acetamid [German] [ACD/IUPAC Name]
N-[(3S)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-3-pyrrolidinyl]acetamide [ACD/IUPAC Name]
N-[(3S)-1-{3-[5-(4-Éthylphényl)-1-méthyl-1H-pyrazol-4-yl]-1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-3-pyrrolidinyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 370.8±31.5 °C
Index of Refraction: 1.713
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.98
ACD/KOC (pH 5.5): 371.81
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.56
ACD/KOC (pH 7.4): 392.87
Polar Surface Area: 94 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 325.7±7.0 cm3

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