Chemical Identity
Molecular Formula
C16H13ClFN3O2
Molecular Weight
333.74 g/mol
Exact Mass
333.068033
PubChem CID
25219609
IUPAC Name
6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILES String
Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccc(F)cc1Cl
Names & Synonyms
External Identifiers
Catalog Overview
6-(2-Chloro-4-fluorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid, identified by CAS 656817-42-4, is a synthetic organic compound with the molecular formula C16H13ClFN3O2 and a molecular weight of 333. 74. Its structure incorporates a pyrazolo[1,5-a]pyrimidine heterocyclic system, which is a common scaffold in drug-like molecules, along with a 2-chloro-4-fluorobenzyl substituent and a carboxylic acid group. This compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in early-stage pharmaceutical research, chemical synthesis, and biochemical studies.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
6-(2-Chloro-4-fluorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid, identified by CAS 656817-42-4, is a synthetic organic compound with the molecular formula C16H13ClFN3O2 and a molecular weight of 333.74. Its structure incorporates a pyrazolo[1,5-a]pyrimidine heterocyclic system, which is a common scaffold in drug-like molecules, along with a 2-chloro-4-fluorobenzyl substituent and a carboxylic acid group. This compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in early-stage pharmaceutical research, chemical synthesis, and biochemical studies. It serves as a valuable building block or lead compound for exploring structure-activity relationships and developing novel chemical entities.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
238.0 °C
Boiling Point
338.0 °C
Density
1.45 g/cm³
Water Solubility
Slightly soluble to insoluble
Flash Point
323.0 °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, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood. Avoid inhalation, ingestion, and skin contact. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Dispose of waste in accordance with local regulations.
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.