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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.

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  • 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

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