1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-, ethyl ester


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-, ethyl ester
CAS Number: 14678-87-6
Product Number: AG001EC7(AGN-PC-0L5CYV)
Synonyms:
MDL No:
Molecular Formula: C12H12ClN3O2
Molecular Weight: 265.6956

Identification/Properties


Computed Properties
Molecular Weight:
265.697g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
265.062g/mol
Monoisotopic Mass:
265.062g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
295
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate is a valuable chemical compound in the realm of chemical synthesis. This compound serves as a versatile building block in the creation of various pharmaceuticals, agrochemicals, and other biologically active molecules. Its unique structure and reactivity make it a key intermediate in the synthesis of complex organic compounds. With its amino and carboxylate functionalities, it can participate in a multitude of reactions, including amide formation, nucleophilic substitutions, and cyclization reactions. The presence of the chlorophenyl group further enhances its utility by providing sites for further derivatization and functionalization. In the hands of skilled chemists, Ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate opens up a wide array of possibilities for the creation of new and innovative chemical entities.