SR 144528

The 5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide (1S-endo)-, with the CAS registry number 192703-06-3, is also known as 5-(4-Chloro-3-methylphenyl)-1-(4-methylbenzyl)-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide. This chemical's molecular formula is C29H34ClN3O and molecular weight is 475.24. What's more, its IUPAC name is called 5-(4-Chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1R,3S,4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide. The production is a drug which acts as a potent and highly selective CB₂ receptor inverse agonist. It is used in scientific research for investigating the function of the CB₂ receptor, as well as for studying the effects of CB₁ receptors in isolation, as few CB₁ agonists are available which do not also show significant activity as CB₂ agonists. It has also been found to be an inhibitor of acyl-coenzymeA: cholesterol acyltransferase, an effect that appears to be independent from its action on CB₂ receptors.

Physical properties about 5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide (1S-endo)- are: (1)ACD/LogP: 10.165; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.17; (4)ACD/LogD (pH 7.4): 10.17; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 8071793.00; (8)ACD/KOC (pH 7.4): 8070889.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.92 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 139.111 cm³; (15)Molar Volume: 389.57 cm³; (16)Surface Tension: 43.49 dyne/cm; (17)Density: 1.222 g/cm³; (18)Flash Point: 333.42 °C; (19)Enthalpy of Vaporization: 92.891 kJ/mol; (20)Boiling Point: 627.699 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc5ccc(c1cc(nn1Cc2ccc(cc2)C)C(=O)N[C@H]4[C@@]3(C)CC[C@H](C3)C4(C)C)cc5C
(2) InChI: InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1
(3) InChIKey: SUGVYNSRNKFXQM-XRHWURSXSA-N