ChemSpider 2D Image | (7S)-2-(4-Phenoxyphenyl)-7-{1-[(~13~C_3_)-2-propenoyl]-4-piperidinyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | C2413C3H29N5O3

(7S)-2-(4-Phenoxyphenyl)-7-{1-[(13C3)-2-propenoyl]-4-piperidinyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

  • Molecular FormulaC2413C3H29N5O3
  • Average mass474.529 Da
  • Monoisotopic mass474.237091 Da
  • ChemSpider ID114810956

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(7S)-2-(4-Phenoxyphenyl)-7-{1-[(13C3)-2-propenoyl]-4-piperidinyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-carboxamid [German] [ACD/IUPAC Name]
(7S)-2-(4-Phenoxyphenyl)-7-{1-[(13C3)-2-propenoyl]-4-piperidinyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [ACD/IUPAC Name]
(7S)-2-(4-Phénoxyphényl)-7-{1-[(13C3)-2-propenoyl]-4-pipéridinyl}-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl-1,2,3-13C3)-4-piperidinyl]-2-(4-phenoxyphenyl)-, (7S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 352.1±7.0 cm3

Click to predict properties on the Chemicalize site


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