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6-(2-Chloro-4-fluorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS 656817-42-4Formula C16H13ClFN3O2MW 333.74PubChem 25219609

This compound is a complex organic molecule featuring a pyrazolo[1,5-a]pyrimidine core substituted with a chloro-fluorobenzyl group and a carboxylic acid. It is primarily intended for research and development applications in medicinal chemistry and drug discovery.

Loading RDKit molecule structure...
InChIKey: OHIMGKYJGJKFMN-UHFFFAOYSA-NC16H13ClFN3O2 | MW 333.74

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

6-(2-Chloro-4-fluorobenzyl)-5,7-dimethylpyrazolo-[1,5-a]pyrimidine-3-carboxylic acidH241056-(2-chloro-4-fluorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylicacid6-[(2-chloro-4-fluoro-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
External Identifiers
MFCD03450690DTXSID101120818ALBB-006492AKOS004910765LS-02297CS-0360875SR-01000581945SR-01000581945-1

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

Estimated

Estimated / 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

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. 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.

Similar products (text references)

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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.