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5-(4-Isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS 827593-58-8Formula C17H18F3N3O2MW 353.34PubChem 4769492

5-(4-Isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is a research-use chemical with the CAS number 827593-58-8. This organic compound, characterized by its C17H18F3N3O2 formula and molecular weight of 353.34, features a pyrazolo[1,5-a]pyrimidine core with isopropylphenyl, trifluoromethyl, and carboxylic acid substituents. It is classified as a research-oriented/research-oriented molecule, indicating its potential utility in drug discovery and biochemical research.

Loading RDKit molecule structure...
InChIKey: XNXUELOSQOEMNU-UHFFFAOYSA-NC17H18F3N3O2 | MW 353.34

Chemical Identity

Molecular Formula

C17H18F3N3O2

Molecular Weight

353.34 g/mol

Exact Mass

353.135111

PubChem CID

4769492

IUPAC Name

5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

SMILES String

CC(C)c1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1

Names & Synonyms

5-[4-(Propan-2-yl)phenyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid5-(4-Isopropyl-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5- a ]pyrimidine-3-carboxylic acid5-[4-(methylethyl)phenyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-d iazaperhydroine-3-carboxylic acid5-[4-(Propan-2-yl)phenyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylicacid
External Identifiers
MFCD04967199SBB021174STK303608AKOS000305962CS-0273836EN300-228921

Catalog Overview

5-(4-Isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is a complex organic compound featuring a tetrahydropyrazolo[1,5-a]pyrimidine core. This structure is substituted with a 4-isopropylphenyl group at position 5, a trifluoromethyl group at position 7, and a carboxylic acid group at position 3. Its molecular formula is C17H18F3N3O2 and it has a molecular weight of 353. 34 g/mol.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

5-(4-Isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is a complex organic compound featuring a tetrahydropyrazolo[1,5-a]pyrimidine core. This structure is substituted with a 4-isopropylphenyl group at position 5, a trifluoromethyl group at position 7, and a carboxylic acid group at position 3. Its molecular formula is C17H18F3N3O2 and it has a molecular weight of 353.34 g/mol. The presence of both a trifluoromethyl group and a carboxylic acid moiety, along with a heterocyclic pyrimidine system, suggests potential for diverse chemical reactivity and biological interactions, making it a valuable subject for synthetic organic chemistry and medicinal chemistry research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

205.0 °C

Boiling Point

450.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

285.0 °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
  • When handling 5-(4-Isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, it is crucial to follow standard laboratory safety protocols. Always wear appropriate personal protective equipment, including safety glasses, gloves, and a lab coat. Work in a well-ventilated area or under a fume hood to minimize inhalation exposure. Avoid direct contact with skin and eyes. In case of contact, rinse immediately with plenty of water and seek medical advice. Store the compound in a cool, dry place, away from incompatible materials, and ensure containers are tightly sealed. Dispose of chemical waste according to local regulations.

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