1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-methyl-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-methyl-, ethyl ester
CAS Number: 51986-17-5
Product Number: AG003QCO(AGN-PC-0OBMFF)
Synonyms:
MDL No: MFCD09839084
Molecular Formula: C7H10N2O3
Molecular Weight: 170.1659

Identification/Properties


Properties
MP:
140-141℃
BP:
337.216°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
170.168g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
170.069g/mol
Monoisotopic Mass:
170.069g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
247
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate is a versatile compound widely used in chemical synthesis due to its unique structural properties and reactivity. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and other fine chemicals. Its presence in a chemical synthesis process often leads to the formation of novel molecules with potentially beneficial properties. Additionally, Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate plays a crucial role in the development of new materials and compounds with applications in diverse fields such as medicine, agriculture, and materials science. Its efficient incorporation into synthetic pathways highlights its significance as a key intermediate in organic chemistry research and development.