CAS 436088-54-9 4,5,6,7-Tetrahydro-5-(1-methylcyclopr | RFQ | MolGraph

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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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related CAS / Similar Products

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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.

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