Chemical Identity
Molecular Formula
C14H14F3N3O2
Molecular Weight
313.27 g/mol
Exact Mass
313.103811
PubChem CID
25247856
IUPAC Name
2-[3-cyclopropyl-6-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILES String
CCc1cc(C(F)(F)F)c2c(C3CC3)nn(CC(=O)O)c2n1
Names & Synonyms
External Identifiers
Catalog Overview
2-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid is a synthetic organic compound with the molecular formula C14H14F3N3O2 and a molecular weight of 313. 27 g/mol. Its structure includes a bicyclic pyrazolo[3,4-b]pyridine system, which is a nitrogen-containing heterocyclic scaffold often found in biologically active molecules. Key substituents include a cyclopropyl ring, an ethyl group, and a trifluoromethyl group, which can influence its physicochemical properties and potential interactions.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid is a synthetic organic compound with the molecular formula C14H14F3N3O2 and a molecular weight of 313.27 g/mol. Its structure includes a bicyclic pyrazolo[3,4-b]pyridine system, which is a nitrogen-containing heterocyclic scaffold often found in biologically active molecules. Key substituents include a cyclopropyl ring, an ethyl group, and a trifluoromethyl group, which can influence its physicochemical properties and potential interactions. An acetic acid functional group is attached to the pyrazole nitrogen, providing a carboxylic acid moiety that can participate in various chemical reactions or biological interactions. This compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, medicinal chemistry research, or as a building block for more complex chemical entities. It is strictly for Research Use Only (RUO).
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline powder
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
450.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
250.0 °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 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. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling. This product is for Research Use Only and not for human or animal therapeutic or diagnostic use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.