3-(4-bromophenyl)-1-methylpyrazole

Name: 3-(4-bromophenyl)-1-methylpyrazole
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CAS No. 73387-51-6
Cat. No. CS-0061747
Purity≥98%
MDL No.None

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3-(4-bromophenyl)-1-methylpyrazole|CS-0061747

Structure of 73387-51-6

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General Information

CAS No. 73387-51-6
Cat. No. CS-0061747
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉BrN₂
Molecular Weight 237.10
Synonym(s) 3-(4-Bromophenyl)-1-methyl-1H-pyrazole
SMILES CN1C=CC(=N1)C2=CC=C(C=C2)Br

Description

This 3-(4-bromophenyl)-1-methylpyrazole features a brominated phenyl group attached to a pyrazole core, enabling direct coupling in cross-coupling reactions. The methylated pyrazole ring enhances stability and solubility under standard conditions, while the para-bromo substituent facilitates efficient Pd-catalyzed functionalization.

Application

3-(4-Bromophenyl)-1-methylpyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromoaryl functionality. The pyrazole core provides metabolic stability and hydrogen-bonding capacity, while the N-methyl group enhances lipophilicity and synthetic accessibility. Its bench-stable nature facilitates straightforward handling and purification, making it ideal for constructing complex heterocyclic scaffolds in API development.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P330-P362-P363-P405-P501

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Computational Chemistry Data

TPSA 17.82
LogP 2.8496
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(4-bromophenyl)-1-methylpyrazole

CAS No. 73387-51-6

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