Ethyl 5-chloro-1H-pyrazole-4-carboxylate

Name: Ethyl 5-chloro-1H-pyrazole-4-carboxylate
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CAS No. 1393667-83-8
Cat. No. CS-0043738
Molecule weight174.59
Purity≥95%
MDL No.MFCD08689931

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Type	HazMat Fee
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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Ethyl 5-chloro-1H-pyrazole-4-carboxylate|CS-0043738

Structure of 1393667-83-8

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General Information

CAS No. 1393667-83-8
Cat. No. CS-0043738
Purity ≥95%
MDL No. MFCD08689931
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇ClN₂O₂
Molecular Weight 174.59
Synonym(s) 5-Chloro-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES CCOC(=O)C1=C(Cl)NN=C1

Description

Ethyl 5-chloro-1H-pyrazole-4-carboxylate features a chlorinated pyrazole core with a carboxylate ester handle, enabling direct integration into heterocyclic synthesis. The electron-deficient pyrazole ring facilitates nucleophilic substitution reactions, while the ethyl ester group supports derivatization under standard conditions. This bench-stable reagent streamlines access to functionalized pyrazole scaffolds in medicinal chemistry and materials development.

Application

Ethyl 5-chloro-1H-pyrazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazole scaffolds via palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The chloro group at the 5-position provides high reactivity for C–C and C–heteroatom bond formation, while the ester functionality offers compatibility with standard deprotection and functionalization protocols. Its bench-stable nature and predictable reactivity make it ideal for medicinal chemistry campaigns and process-scale applications.

Safety Information

Download SDS

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 54.98
LogP 1.2398
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Ethyl 5-chloro-1H-pyrazole-4-carboxylate

CAS No. 1393667-83-8

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