1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methoxyphenyl)-


Chemical Name: 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methoxyphenyl)-
CAS Number: 14678-95-6
Product Number: AG001EC3(AGN-PC-0KWWXC)
Synonyms:
MDL No:
Molecular Formula: C11H11N3O3
Molecular Weight: 233.2233

Identification/Properties


Computed Properties
Molecular Weight:
233.227g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
233.08g/mol
Monoisotopic Mass:
233.08g/mol
Topological Polar Surface Area:
90.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
279
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid is a versatile compound widely used in chemical synthesis. Its primary application lies in its role as a key building block in the synthesis of various pharmaceuticals and agrochemicals. Specifically, this compound serves as a crucial intermediate in the production of bioactive molecules and heterocyclic compounds. With its unique structure and functional groups, 5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid facilitates the formation of complex chemical structures through the establishment of important molecular connections. In medicinal chemistry, this compound is instrumental in the development of potential drug candidates due to its ability to impart desirable pharmacological properties. Additionally, its incorporation in chemical synthesis processes enables the efficient creation of novel compounds with diverse applications across different industries.