5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde

Name: 5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde
Brand: ChemScene
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CAS No. 179732-64-0
Cat. No. CS-0061730
Purity≥98%
MDL No.None

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5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde|CS-0061730

Structure of 179732-64-0

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Description

5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde features a reactive aldehyde group flanked by a hydroxyl and electron-withdrawing trifluoromethyl moiety, enabling selective conjugation in bioconjugation and medicinal chemistry. The molecule exhibits enhanced solubility and stability under standard conditions, facilitating integration into complex synthetic pathways.

Application

5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde serves as a versatile building block for heterocyclic synthesis, enabling efficient access to functionalized pyrazole scaffolds. The aldehyde group facilitates nucleophilic additions and condensation reactions, while the hydroxyl and trifluoromethyl functionalities offer sites for derivatization and enhanced physicochemical properties. Its bench-stable nature and compatibility with standard purification methods support reliable use in medicinal chemistry and process development workflows.

General Information

CAS No. 179732-64-0
Cat. No. CS-0061730
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅F₃N₂O₂
Molecular Weight 194.11
Synonym(s) 5-hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
SMILES CN1C(=C(C=O)C(=N1)C(F)(F)F)O

Computational Chemistry Data

TPSA 55.12
LogP 0.957
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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
Precautionary Statements : P261-P280-P304+P340-P405

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde

CAS No. 179732-64-0

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