1-(3-chlorophenyl)pyrazole-4-carboxylic acid


Chemical Name: 1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CAS Number: 1053085-34-9
Product Number: AG009M6N(AGN-PC-035VEU)
Synonyms:
MDL No:
Molecular Formula: C10H7ClN2O2
Molecular Weight: 222.6278

Identification/Properties


Computed Properties
Molecular Weight:
222.628g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
222.02g/mol
Monoisotopic Mass:
222.02g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
250
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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Chemical Structure



1-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid is a versatile compound commonly utilized in chemical synthesis as a precursor for the preparation of various pharmaceuticals, agrochemicals, and functional materials. This particular carboxylic acid derivative serves as a key building block in organic synthesis due to its unique chemical properties and reactivity. By incorporating this compound into synthetic routes, chemists can access a wide range of structurally diverse molecules with potential applications in medicinal chemistry, material science, and other fields. The presence of the chlorophenyl and pyrazole moieties imparts specific characteristics to the final products, making 1-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid a valuable tool for designing and creating novel compounds with tailored properties.