ChemSpider 2D Image | (3,5-Dimethyl-1H-pyrazol-4-yl)[(1-pyrrolidinylsulfonyl)amino]acetic acid | C11H18N4O4S

(3,5-Dimethyl-1H-pyrazol-4-yl)[(1-pyrrolidinylsulfonyl)amino]acetic acid

  • Molecular FormulaC11H18N4O4S
  • Average mass302.350 Da
  • Monoisotopic mass302.104889 Da
  • ChemSpider ID29657330

More details:

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

(3,5-Dimethyl-1H-pyrazol-4-yl)[(1-pyrrolidinylsulfonyl)amino]acetic acid [ACD/IUPAC Name]
(3,5-Dimethyl-1H-pyrazol-4-yl)[(1-pyrrolidinylsulfonyl)amino]essigsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-4-acetic acid, 3,5-dimethyl-α-[(1-pyrrolidinylsulfonyl)amino]- [ACD/Index Name]
Acide (3,5-diméthyl-1H-pyrazol-4-yl)[(1-pyrrolidinylsulfonyl)amino]acétique [French] [ACD/IUPAC Name]
(3,5-dimethyl-1H-pyrazol-4-yl)[(pyrrolidin-1-ylsulfonyl)amino]acetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 566.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.3±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 203.2±5.0 cm3

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