5-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole

Name: 5-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
Brand: ChemScene
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CAS No. 524740-42-9
Cat. No. CS-0139949
Molecule weight229.00
Purity≥98%
MDL No.MFCD16616796

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole|CS-0139949

Structure of 524740-42-9

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General Information

CAS No. 524740-42-9
Cat. No. CS-0139949
Purity ≥98%
MDL No. MFCD16616796
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₄BrF₃N₂
Molecular Weight 229.00
Synonym(s) None
SMILES FC(C1=NN(C)C(Br)=C1)(F)F

Description

5-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole features a trifluoromethyl group that enhances electron deficiency and metabolic stability, while the bromine substituent enables facile functionalization via cross-coupling. This pyrazole scaffold integrates readily into bioactive molecules, offering improved solubility and compatibility in medicinal chemistry applications.

Application

5-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo and electron-deficient trifluoromethyl groups. The molecule exhibits excellent bench stability, facilitates straightforward purification, and functions effectively in Suzuki-Miyaura and Buchwald-Hartwig transformations for constructing complex heterocyclic scaffolds.

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 17.82
LogP 2.2014
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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5-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole

CAS No. 524740-42-9

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