Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate

Basic Information

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CAS Number

98334-81-7

Molecular Formula

C7H10N2O3

Molecular Weight

170.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCOC(=O)CC1=NNC(=O)C1

InChI

InChI=1S/C7H10N2O3/c1-2-12-7(11)4-5-3-6(10)9-8-5/h2-4H2,1H3,(H,9,10)

InChIKey

CHPIDAZCLSVIOX-UHFFFAOYSA-N

LogP

-0.18450000000000005

Topological Polar Surface Area

67.75999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

235

Synonyms & References

English

CS-0364708
CHPIDAZCLSVIOX-UHFFFAOYSA-N
98334-81-7
ETHYL 2-(5-OXO-1,4-DIHYDROPYRAZOL-3-YL)ACETATE
SCHEMBL6092662
Ethyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
AKOS004121344
A858557
ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
AE-562/41541783
Ethyl2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
3-(ethoxycarbonylmethyl)-2-pyrazolin-5-one
4,5-dihydro-5-oxo-1H-Pyrazole-3-acetic acid ethyl ester

MDL Number

MFCD11868979

FAQ

What is Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS: 98334-81-7)?

Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is a chemical compound with the CAS number 98334-81-7. It is a colorless or light yellow liquid with a distinctive odor. This compound is used in various applications, including pharmaceuticals, flavorings, and research.

What are the main uses of Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS: 98334-81-7)?

Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is primarily used in the pharmaceutical industry as a precursor for drug synthesis. It is also used as a flavoring agent in the food industry and as a reagent in research and development.

Is Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS: 98334-81-7) safe?

Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is generally safe when handled and used properly. However, it is important to follow safety guidelines, including wearing appropriate protective equipment such as gloves and goggles. Exposure to high concentrations may cause skin and eye irritation. Adequate ventilation is recommended.

How should Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS: 98334-81-7) be stored?

Ethyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate should be stored in a cool, dry, and well-ventilated area away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent contamination and evaporation. The storage temperature should be below 30°C (86°F) to ensure stability.