3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

CAS No. 1022931-45-8
Cat. No. CS-0076582
Molecule weight192.14
Purity≥97%
MDL No.None

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3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole|CS-0076582

Structure of 1022931-45-8

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General Information

CAS No. 1022931-45-8
Cat. No. CS-0076582
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇F₃N₂O
Molecular Weight 192.14
Synonym(s) 4,6,7-Tetrahydro-3-(trifluoromethyl)pyrano-[4,3-c]-pyrazole
SMILES FC(F)(F)C1=NNC2=C1COCC2

Description

This trifluoromethyl-substituted tetrahydropyranopyrazole integrates a polar, electron-deficient trifluoromethyl group and a rigid heterocyclic scaffold, offering enhanced metabolic stability and selective binding affinity. The fused ring system enables precise spatial orientation in target engagement, while the fluorinated moiety improves membrane permeability and resistance to oxidative degradation under standard bench conditions.

Application

3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its fused pyranopyrazole core exhibits enhanced metabolic stability and moderate lipophilicity, enabling efficient incorporation into bioactive scaffolds. The trifluoromethyl group imparts favorable electronic properties and contributes to improved membrane permeability. The compound demonstrates bench stability and compatibility with standard functional group manipulations, facilitating downstream derivatization in multistep syntheses.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 37.91
LogP 1.5012
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

CAS No. 1022931-45-8

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