Basic information
- Name:
1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-
- Superlist Name:
- Rimonabant
- CAS No.:
168273-06-1
- Molecular Structure:
- Formula:
- C22H21Cl3N4O
- Molecular Weight:
- 463.79
- Synonyms:
- 1-(2,4-Dichlorophenyl)-5-(4-chlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide;5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylicacid N-(piperidin-1-yl)amide;A 281;Acomplia;N-Piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;SR 141716;
- Density:
- 1.41 g/cm3
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Specification
The 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- is an organic compound with the formula C22H21Cl3N4O. The IUPAC name of this chemical is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide. With the CAS registry number 168273-06-1, it is also named as Rimonabant. The product's category is Weight Loss.
Physical properties about 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- are: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27061.6; (6)ACD/BCF (pH 7.4): 27198.54; (7)ACD/KOC (pH 5.5): 51715.72; (8)ACD/KOC (pH 7.4): 51977.41; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 41.37 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 122.23 cm3; (15)Molar Volume: 327.8 cm3; (16)Polarizability: 48.45×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.41 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Cl)cc3)c4C
(2)InChI: InChI=1/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
(3)InChIKey: JZCPYUJPEARBJL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
(5)Std. InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N
