Rimonabant

C₂₂H₂₁Cl₃N₄OCAS 168273-06-1463.79 g/mol

Open in Covalent MOL file

Aryl halide Hydrazone Tertiary amine

Properties

Molecular formula: C₂₂H₂₁Cl₃N₄O
Molar mass: 463.79 g/mol
Exact mass: 462.0781 Da
Melting point: 154.7 °C
logP: 6.51Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H361 Suspected of damaging fertility or the unborn child50% of notifiers
H371 May cause damage to organs50% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P308+P316, P318, P319, P391, P405, P501

Identifiers

CAS number

168273-06-1

SMILES

Cc1c(C(O)=NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

InChIKey

JZCPYUJPEARBJL-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide
SR 141716
Acomplia
A 281
N-Piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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-carboxylic acid N-(piperidin-1-yl)amide
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
SR 141617
Zimulti
ENP 9

Work with Rimonabant

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rimonabant hydrochloride158681-13-1Salt

Similar compounds

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid162758-35-263 % similar N-(2,4-Dichlorophenyl)acetamide6975-29-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook