5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide hydrochloride (1:1)

Basic Information

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CAS Number

158681-13-1

Molecular Formula

C22H22Cl4N4O

Molecular Weight

500.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

230-240 ºC

Solubility

DMSO: soluble20mg/mL, clear

SMILES

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CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C22H21Cl3N4O.ClH/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);1H

InChIKey

REOYOKXLUFHOBV-UHFFFAOYSA-N

LogP

6.360420000000005

Topological Polar Surface Area

50.160000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

583

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Rimonabant hydrochloride- Bio-X
1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-, monohydrochloride
MLS003899191
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylicacidpiperidin-1-ylam
SR 141716A
BCP12988
REOYOKXLUFHOBV-UHFFFAOYSA-N
DTXSID20166495
SR 141716 hydrochloride
SR 151716A
1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-, hydrochloride (1:1)
FT-0660902
N-(Piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide hydrochloride
CS-0707
HY-14137
AKOS015951279
SMR002543364
J-009519
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide hydrochloride
KS-1154
Rimonabant hydrochloride, >=98% (HPLC)
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamidemonohydrochloride
Rimonabant hydrochloride
HL0V2LQZ09
AC-9539
Q27279980
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
Rimonabant (Hydrochloride)
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide monohydrochloride
A3503
MFCD00934884

MDL Number

MFCD00934884

FAQ

What are the physical and chemical properties of 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide hydrochloride (CAS: 158681-13-1)?

This compound is a crystalline solid with a molecular weight of approximately 534.95 g/mol. It has a low water solubility and is slightly soluble in common organic solvents. It is reactive towards basic and reducing agents.

How is 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide hydrochloride (CAS: 158681-13-1) typically synthesized?

This compound is synthesized through a multi-step process involving the condensation of a substituted pyrazole with a piperidine derivative, followed by chlorination and acylation reactions. The synthesis requires careful control of reaction conditions to achieve high yield and purity.

What industries use 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide hydrochloride (CAS: 158681-13-1)?

This compound is used in the pharmaceutical industry for its potential therapeutic effects, particularly in the treatment of certain neurological disorders. It is also of interest in the sensor and semiconductor industries due to its functional groups.

What precautions should be taken when handling 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide hydrochloride (CAS: 158681-13-1)?

Handle this compound in a well-ventilated area or fume hood. Use appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Store in a cool, dry place away from direct sunlight. In case of spill, neutralize with an appropriate agent and dispose of in accordance with local regulations. Refer to the Material Safety Data Sheet (MSDS) for detailed information.