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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.