1H-Indazole-5-carboxylic acid, ethyl ester


Chemical Name: 1H-Indazole-5-carboxylic acid, ethyl ester
CAS Number: 192944-51-7
Product Number: AG00AP4K(AGN-PC-0K63V4)
Synonyms:
MDL No:
Molecular Formula: C10H10N2O2
Molecular Weight: 190.1986

Identification/Properties


Computed Properties
Molecular Weight:
190.202g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
190.074g/mol
Monoisotopic Mass:
190.074g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
220
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 1H-indazole-5-carboxylate is a versatile compound that is commonly used in chemical synthesis for the preparation of various derivatives and complex molecules. This compound serves as a key building block in the synthesis of pharmaceuticals, agrochemicals, and materials due to its unique structural properties and reactivity.In chemical synthesis, Ethyl 1H-indazole-5-carboxylate can be utilized as a precursor for the construction of indazole-based heterocyclic scaffolds. Through a series of carefully designed reactions, this compound can undergo functional group transformations to introduce different substituents at specific positions on the indazole ring. This ability to modify the structure of Ethyl 1H-indazole-5-carboxylate enables chemists to create a diverse array of compounds with tailored properties and functions.Furthermore, Ethyl 1H-indazole-5-carboxylate can participate in various synthetic routes such as cyclization reactions, cross-coupling reactions, and oxidative transformations to form novel molecular entities. Its versatile nature makes it a valuable tool for organic chemists seeking to access new chemical space and develop innovative molecules for various applications in drug discovery, materials science, and chemical biology.