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4,5,6,7-Tetrahydro-5-(1-methylcyclopropyl)-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid

CAS 436088-54-9Formula C12H14F3N3O2MW 289.25PubChem 3145958

4,5,6,7-Tetrahydro-5-(1-methylcyclopropyl)-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid is a complex organic compound featuring a pyrazolopyrimidine core, a trifluoromethyl group, and a carboxylic acid moiety. It is intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: NNCJNZLSIUWYRF-UHFFFAOYSA-NC12H14F3N3O2 | MW 289.25

Chemical Identity

Molecular Formula

C12H14F3N3O2

Molecular Weight

289.25 g/mol

Exact Mass

289.103811

PubChem CID

3145958

IUPAC Name

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

SMILES String

CC1(C2CC(C(F)(F)F)n3nc(C(=O)O)cc3N2)CC1

Names & Synonyms

4,5,6,7-Tetrahydro-5-(1-methylcyclopropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-(1-Methyl-cyclopropyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylicBAS 03183423HMS2640F075-(1-methylcyclopropyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Show all synonyms
Pyrazolo[1,5-a]pyrimidine-2-carboxylicacid, 4,5,6,7-tetrahydro-5-(1-methylcyclopropyl)-7-(trifluoromethyl)-5-(methylcyclopropyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diaza perhydroine-2-carboxylic acid
External Identifiers
RefChem:285152CHEMBL1596561MLS000716471DTXSID10420917BDBM50611383AKOS000300075AKOS016346814SMR000277988ST073709

Catalog Overview

This compound, with CAS 436088-54-9, is a fluorinated pyrazolopyrimidine derivative. Its structure includes a saturated pyrazolopyrimidine ring system, a 1-methylcyclopropyl substituent, a trifluoromethyl group, and a carboxylic acid functional group. Such structural features are often found in compounds explored in medicinal chemistry and drug discovery research, serving as potential building blocks or lead compounds for further investigation. It is provided for research use only.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

160.0 °C

Boiling Point

316.0 °C

Density

1.51 g/cm³

Water Solubility

>43.4 [ug/mL] (The mean of the results at pH 7.4)

Flash Point

206.6 °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 (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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