680187-03-5

Basic information

• Product Name: 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-4-methyl-1-(4-methylcyclohexyl)-, ethyl ester
• CAS NO: 680187-03-5
• Molecular Formula: C20H25ClN2O2
• Molecular Weight: 360.884
• Mol File: 680187-03-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-4-methyl-1-(4-methylcyclohexyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-4-methyl-1-(4-methylcyclohexyl)-, ethyl ester(680187-03-5)
• EPA Substance Registry System: 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-4-methyl-1-(4-methylcyclohexyl)-, ethyl ester(680187-03-5)

Safety Data

• Hazardous Substances Data: 680187-03-5(Hazardous Substances Data)

Upstream product

• 379713-22-1 t-Butyl 2-(4-methylcyclohexylidene)hydrazinecarboxylate 
• 589-92-4 1-methylcyclohexan-4-one 
• 6285-05-8 4'-chloropropiophenone 
• 169544-41-6 4-(4-chlorophenyl)-3-methyl-2,4-dioxobutyric acid ethyl ester 

Relevant articles and documents

Synthesis, biological evaluation, and structural studies on N1 and C5 substituted cycloalkyl analogues of the pyrazole class of CB1 and CB2 ligands

A series of N1 and C5 substituted cycloalkyl and C5 4-methylphenyl analogues of the N-(piperidin-1-yl)-4-methyl-1H-pyrazole-3-carboxamide class of cannabinoid ligands were synthesized. The analogues were evaluated for CB1 and CB2 receptor binding affinities and receptor subtype selectivity. The effects of pyrazole substitution on ligand conformation and as such receptor affinities was not readily apparent; therefore, the geometries of the N1 and C5 substituents relative to the pyrazole ring were studied using high field NMR spectroscopy and systematic molecular mechanics geometry searches. An analysis of the relative ring geometries and functional group orientations provides new insight into the structural requirements of the CB1 and CB2 ligand binding pocket.