ChemSpider 2D Image | {(3R,4R)-1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(dimethylamino)methyl]-3-pyrrolidinyl}methanol | C13H23ClN4O3S

{(3R,4R)-1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(dimethylamino)methyl]-3-pyrrolidinyl}methanol

  • Molecular FormulaC13H23ClN4O3S
  • Average mass350.865 Da
  • Monoisotopic mass350.117950 Da
  • ChemSpider ID29650057

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(3R,4R)-1-[(5-Chlor-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(dimethylamino)methyl]-3-pyrrolidinyl}methanol [German] [ACD/IUPAC Name]
{(3R,4R)-1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(dimethylamino)methyl]-3-pyrrolidinyl}methanol [ACD/IUPAC Name]
{(3R,4R)-1-[(5-Chloro-1,3-diméthyl-1H-pyrazol-4-yl)sulfonyl]-4-[(diméthylamino)méthyl]-3-pyrrolidinyl}méthanol [French] [ACD/IUPAC Name]
3-Pyrrolidinemethanol, 1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(dimethylamino)methyl]-, (3R,4R)- [ACD/Index Name]
{(3R*,4R*)-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(dimethylamino)methyl]-3-pyrrolidinyl}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: 500.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.3±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 86.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 245.4±7.0 cm3

Click to predict properties on the Chemicalize site


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