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
External Identifiers
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
EstimatedEstimated / 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
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. 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.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
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.