Description

Ethyl 5-amino-4-chloro-1H-pyrazole-3-carboxylate (CAS No. 2793433-51-7) is a high-purity heterocyclic compound with the molecular formula C₆H₈ClN₃O₂. This versatile pyrazole derivative is characterized by its amino and chloro functional groups at the 5- and 4-positions, respectively, along with an ethyl ester moiety at the 3-position. It is supplied as a fine crystalline powder with >95% purity (HPLC), ideal for pharmaceutical intermediates, agrochemical synthesis, and material science research. The compound is stable under recommended storage conditions (2-8°C, inert atmosphere) and undergoes rigorous QC testing including NMR, LC-MS, and elemental analysis to ensure batch-to-batch consistency. Available in research (1g-100g) and bulk (1kg+) quantities with customizable packaging options.

Properties

• CAS Number: 2793433-51-7
• Complexity: 178
• IUPAC Name: ethyl 3-amino-4-chloro-1H-pyrazole-5-carboxylate
• InChI: InChI=1S/C6H8ClN3O2/c1-2-12-6(11)4-3(7)5(8)10-9-4/h2H2,1H3,(H3,8,9,10)
• InChI Key: NFXXBBRJEKKFIP-UHFFFAOYSA-N
• Exact Mass: 189.0305042
• Molecular Formula: C6H8ClN3O2
• Molecular Weight: 189.60
• SMILES: CCOC(=O)C1=C(C(=NN1)N)Cl
• Topological: 81
• Monoisotopic Mass: 189.0305042
• Synonyms: ethyl 5-amino-4-chloro-1H-pyrazole-3-carboxylate, STL589129, AKOS040891514, EN300-6509747, Ethyl 3-amino-4-chloro-1H-pyrazole-5-carboxylate, 2793433-51-7

Application

This pyrazole ester serves as a key building block in medicinal chemistry for developing kinase inhibitors and antimicrobial agents. Its reactive sites enable facile derivatization for structure-activity relationship studies in drug discovery programs. The compound has shown utility in synthesizing fused heterocycles for materials with optoelectronic properties. Researchers also employ it as a precursor for crop protection chemicals due to its bioactive pyrazole core.

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