1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-
CAS Number: 75092-30-7
Product Number: AG0035VK(AGN-PC-0JUR3L)
Synonyms:
MDL No:
Molecular Formula: C5H5IN2O2
Molecular Weight: 252.0099

Identification/Properties


Properties
MP:
242°C(lit.)
BP:
362.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
252.011g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
251.94g/mol
Monoisotopic Mass:
251.94g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
153
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid is a versatile compound widely utilized in chemical synthesis as a key building block for the construction of various complex organic molecules. Due to its unique structure and reactivity, this compound serves as a valuable intermediate in the preparation of pharmaceuticals, agrochemicals, and other fine chemicals. In particular, it is commonly employed in the synthesis of heterocyclic compounds and substituted pyrazoles, which are important structural motifs found in many biologically active compounds. Additionally, its iodo functional group allows for further derivatization through various cross-coupling reactions, making it a valuable tool for medicinal chemists and researchers in organic synthesis.