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{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl propionate

CAS 955966-45-7Formula C16H14F6N2O3MW 396.28PubChem 1478799

This compound is a complex organic molecule featuring a pyrazole core substituted with two trifluoromethyl groups, a methyl group, and a propionate ester linked via a methylene bridge. Its structure suggests potential for diverse research applications, particularly in medicinal chemistry or materials science, due to the presence of fluorine atoms and a heterocyclic scaffold. Intended for Research Use Only (RUO).

Loading RDKit molecule structure...
InChIKey: JMAHTVTXAYNCGY-UHFFFAOYSA-NC16H14F6N2O3 | MW 396.28

Chemical Identity

Molecular Formula

C16H14F6N2O3

Molecular Weight

396.28 g/mol

Exact Mass

396.090861

PubChem CID

1478799

IUPAC Name

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

SMILES String

CCC(=O)OCc1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1

Names & Synonyms

[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]methyl propanoateREGID_for_CID_1478799HMS2396I085G-370S[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]methylpropanoate
External Identifiers
MLS000546847CHEMBL1736069AKOS005092224SMR000180045

Catalog Overview

{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl propionate is a synthetic organic compound with the molecular formula C16H14F6N2O3 and a molecular weight of 396. 28 g/mol. It incorporates a 1H-pyrazole ring system, which is a common scaffold in biologically active molecules. Key features include a methyl group at the N1 position, a trifluoromethyl group at C3, and a 3-(trifluoromethyl)phenoxy substituent at C5.

Use Context

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

{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl propionate is a synthetic organic compound with the molecular formula C16H14F6N2O3 and a molecular weight of 396.28 g/mol. It incorporates a 1H-pyrazole ring system, which is a common scaffold in biologically active molecules. Key features include a methyl group at the N1 position, a trifluoromethyl group at C3, and a 3-(trifluoromethyl)phenoxy substituent at C5. A propionate ester group is attached to the C4 position via a methylene linker. The presence of two trifluoromethyl groups significantly influences its physicochemical properties, such as lipophilicity and metabolic stability, making it of interest in drug discovery and agrochemical research. This compound is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

380.0 °C

Density

1.4 g/cm³

Water Solubility

Low

Flash Point

200.0 °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. Work in a well-ventilated area or under a fume hood to avoid inhalation of dust or vapors. Avoid contact with skin and eyes. Do not ingest. Store in a cool, dry place, away from incompatible materials. Dispose of waste in accordance with local regulations for chemical waste. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

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