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

CAS 956705-45-6Formula C15H14F4N2O2SMW 362.3PubChem 1478763

A complex organic compound featuring a fluorophenyl sulfanyl group, a methyl-trifluoromethyl pyrazole core, and a propionate ester, primarily for research applications in medicinal chemistry.

Loading RDKit molecule structure...
InChIKey: UZISXOAOEYHJHI-UHFFFAOYSA-NC15H14F4N2O2S | MW 362.3

Chemical Identity

Molecular Formula

C15H14F4N2O2S

Molecular Weight

362.3 g/mol

Exact Mass

362.071212

PubChem CID

1478763

IUPAC Name

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

SMILES String

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

Names & Synonyms

{5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl propanoateREGID_for_CID_1478763HMS2428G145G-315S{5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylpropanoate
External Identifiers
MLS000546844CHEMBL1472356AKOS005092653SMR000180042

Catalog Overview

[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl propionate is a synthetic organic compound with the molecular formula C15H14F4N2O2S and a molecular weight of 362.30. Its structure incorporates a 1-methyl-3-(trifluoromethyl)-1H-pyrazole ring substituted with a 4-fluorophenyl sulfanyl group and a methyl propionate ester. This intricate molecular architecture suggests its potential utility in drug discovery and development, particularly in areas exploring novel heterocyclic compounds with fluorine and sulfur functionalities. It is intended for Research Use Only (RUO).

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

380.0 °C

Density

1.35 g/cm³

Water Solubility

Very slightly soluble

Flash Point

190.0 °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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