4-Bromo-1,5-dimethyl-1H-pyrazole

Name: 4-Bromo-1,5-dimethyl-1H-pyrazole
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CAS No. 5775-86-0
Cat. No. CS-0038657
Purity≥98%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Bromo-1,5-dimethyl-1H-pyrazole|CS-0038657

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General Information

CAS No. 5775-86-0
Cat. No. CS-0038657
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₇BrN₂
Molecular Weight 175.03
Synonym(s) 4-Bromo-1,5-dimethylpyrazole
SMILES CC1=C(C=NN1C)Br

Description

4-Bromo-1,5-dimethyl-1H-pyrazole features a brominated pyrazole core with methyl groups at the 1- and 5-positions, delivering enhanced electron density and steric protection. This configuration enables reliable coupling in transition-metal-catalyzed reactions, particularly Suzuki-Miyaura and Buchwald-Hartwig transformations. The molecule exhibits excellent bench stability and solubility in common organic solvents, facilitating seamless integration into synthetic workflows.

Application

4-Bromo-1,5-dimethyl-1H-pyrazole serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the methyl groups enhance metabolic stability and influence electronic properties. The pyrazole core provides structural rigidity and hydrogen-bonding capability, facilitating interactions in target binding. This compound exhibits good bench stability, ease of purification, and compatibility with standard reaction conditions, making it suitable for rapid diversification in API discovery workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

TPSA 17.82
LogP 1.49102
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

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4-Bromo-1,5-dimethyl-1H-pyrazole

CAS No. 5775-86-0

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