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Search term: CRNMQZGODAGJNN-GOSISDBHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-3-pyrrolidinamine | C24H30N8

(3R)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-3-pyrrolidinamine

  • Molecular FormulaC24H30N8
  • Average mass430.549 Da
  • Monoisotopic mass430.259338 Da
  • ChemSpider ID58907793

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-3-pyrrolidinamin [German] [ACD/IUPAC Name]
(3R)-1-{3-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-3-pyrrolidinamine [ACD/IUPAC Name]
(3R)-1-{3-[5-(4-Éthylphényl)-1-méthyl-1H-pyrazol-4-yl]-1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-diméthyl-3-pyrrolidinamine [French] [ACD/IUPAC Name]
3-Pyrrolidinamine, 1-[3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-, (3R)- [ACD/Index Name]
(3r)-1-{3-[5-(4-Ethylphenyl)-1-Methyl-1h-Pyrazol-4-Yl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Yl}-N,N-Dimethylpyrrolidin-3-Amine
7Y4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.690
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 37.19
Polar Surface Area: 68 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 333.7±7.0 cm3

Click to predict properties on the Chemicalize site


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