1H-Pyrazole-3-acetic acid, 5-methyl-, methyl ester


Chemical Name: 1H-Pyrazole-3-acetic acid, 5-methyl-, methyl ester
CAS Number: 113465-94-4
Product Number: AG0008NZ(AGN-PC-004C8A)
Synonyms:
MDL No:
Molecular Formula: C7H10N2O2
Molecular Weight: 154.1665

Identification/Properties


Computed Properties
Molecular Weight:
154.169g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
154.074g/mol
Monoisotopic Mass:
154.074g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2-(5-methyl-1H-pyrazol-3-yl)acetate is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. This specialized molecule serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. Due to its structural composition, it plays a crucial role in the development of novel compounds with targeted biological activities.In chemical synthesis, Methyl 2-(5-methyl-1H-pyrazol-3-yl)acetate acts as a valuable precursor for the synthesis of complex organic molecules. Its functional groups enable efficient derivatization and modification, allowing chemists to introduce specific functionalities into the final products. Furthermore, its pyrazole scaffold provides a diverse platform for the construction of heterocyclic compounds, which are prevalent in drug discovery and material science.By incorporating Methyl 2-(5-methyl-1H-pyrazol-3-yl)acetate into synthetic routes, chemists can access a wide array of structurally diverse compounds with potential biological activities. This compound's role in chemical synthesis underscores its significance in the development of new molecules for various applications in the fields of medicine, agriculture, and materials science.