3-Bromo-1-ethyl-1H-pyrazole

Name: 3-Bromo-1-ethyl-1H-pyrazole
Brand: ChemScene
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CAS No. 1216504-91-4
Cat. No. CS-0099971
Purity≥95%
MDL No.MFCD09414729

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
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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Structure of 1216504-91-4

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Description

3-Bromo-1-ethyl-1H-pyrazole is a halogenated pyrazole derivative featuring a bromine atom at the 3-position and an ethyl group at nitrogen-1. This configuration imparts enhanced electrophilicity and stability under standard conditions, enabling efficient coupling in transition-metal-catalyzed reactions. The molecule serves as a key intermediate in medicinal chemistry for constructing heterocyclic scaffolds with tunable electronic properties.

Application

3-Bromo-1-ethyl-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The ethyl substituent at N1 enhances solubility and modulates electronic properties, while the pyrazole core provides a robust heterocyclic scaffold with demonstrated utility in drug discovery. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex targets.

General Information

CAS No. 1216504-91-4
Cat. No. CS-0099971
Purity ≥95%
MDL No. MFCD09414729
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₇BrN₂
Molecular Weight 175.03
Synonym(s) None
SMILES CCN1N=C(Br)C=C1

Computational Chemistry Data

TPSA 17.82
LogP 1.6655
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1760
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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3-Bromo-1-ethyl-1H-pyrazole

CAS No. 1216504-91-4

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