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[5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl propionate

CAS 955962-82-0Formula C15H14ClF3N2O2SMW 378.8PubChem 1478786

This compound is a complex organic molecule featuring a pyrazole core, a trifluoromethyl group, a chlorophenylsulfanyl moiety, and a propionate ester. It is intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: QVHMFNKKZYCPRE-UHFFFAOYSA-NC15H14ClF3N2O2S | MW 378.8

Chemical Identity

Molecular Formula

C15H14ClF3N2O2S

Molecular Weight

378.8 g/mol

Exact Mass

378.041661

PubChem CID

1478786

IUPAC Name

[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl propanoate

SMILES String

CCC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1

Names & Synonyms

{5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl propanoateHMS2421D045G-349S{5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylpropanoate
External Identifiers
SMR000180044MLS000546846CHEMBL1601650AKOS005092503

Catalog Overview

[5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl propionate, identified by CAS 955962-82-0, is a synthetic organic compound with the molecular formula C15H14ClF3N2O2S and a molecular weight of 378. 80 g/mol. Its structure incorporates a 1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-methyl propionate backbone, substituted with a 4-chlorophenylsulfanyl group at the 5-position of the pyrazole ring. This compound is classified as a research-oriented/research-oriented molecule, suggesting its potential utility in medicinal chemistry research, drug discovery, and chemical biology studies.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

[5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl propionate, identified by CAS 955962-82-0, is a synthetic organic compound with the molecular formula C15H14ClF3N2O2S and a molecular weight of 378.80 g/mol. Its structure incorporates a 1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-methyl propionate backbone, substituted with a 4-chlorophenylsulfanyl group at the 5-position of the pyrazole ring. This compound is classified as a research-oriented/research-oriented molecule, suggesting its potential utility in medicinal chemistry research, drug discovery, and chemical biology studies. It is supplied for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

110.0 °C

Boiling Point

380.0 °C

Density

1.4 g/cm³

Water Solubility

Insoluble

Flash Point

220.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

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