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[5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate

CAS 318469-48-6Formula C15H14ClF3N2O2SMW 378.8PubChem 1478807

This is a complex organic compound featuring a pyrazole core, a trifluoromethyl group, a methyl acetate moiety, and a 4-chlorobenzylthio substituent. It is classified as a research-oriented/research-oriented molecule, suggesting potential interest in medicinal chemistry or biochemical research.

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

Chemical Identity

Molecular Formula

C15H14ClF3N2O2S

Molecular Weight

378.8 g/mol

Exact Mass

378.041661

PubChem CID

1478807

IUPAC Name

[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate

SMILES String

CC(=O)OCc1c(C(F)(F)F)nn(C)c1SCc1ccc(Cl)cc1

Names & Synonyms

(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl acetate[5-{[(4-Chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetateHMS2179M095G-384S(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylacetate
Show all synonyms
1H-Pyrazole-4-methanol, 5-[[(4-chlorophenyl)methyl]thio]-1-methyl-3-(trifluoromethyl)-, 4-acetate
External Identifiers
SMR000125249MLS000539591CHEMBL1308462DTXSID201115672AKOS005092347

Catalog Overview

[5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate is a synthetic organic compound with the chemical formula C15H14ClF3N2O2S and a molecular weight of 378. 80 g/mol. Its structure incorporates a 1H-pyrazole ring substituted with a trifluoromethyl group at position 3, a methyl group at position 1, and a methyl acetate group at position 4. A 4-chlorobenzylthio group is attached at position 5.

Use Context

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

[5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate is a synthetic organic compound with the chemical formula C15H14ClF3N2O2S and a molecular weight of 378.80 g/mol. Its structure incorporates a 1H-pyrazole ring substituted with a trifluoromethyl group at position 3, a methyl group at position 1, and a methyl acetate group at position 4. A 4-chlorobenzylthio group is attached at position 5. This compound's "druglike_bioactive_like" classification indicates its structural characteristics are often found in biologically active molecules, making it a candidate for various research applications, particularly in drug discovery and development.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

91.0 °C

Boiling Point

380.0 °C

Density

1.43 g/cm³

Water Solubility

1.78 × 10⁻⁵ mol/L

Flash Point

244.7 °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, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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296266-50-7CAS 296266-50-7

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293399GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.