3-Acetyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

1297537-45-1

Molecular Formula

C6H6N2O3

Molecular Weight

154.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC(=O)c1cc([nH]n1)C(=O)O

InChI

InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)

InChIKey

HFBWRCZRDIVAMQ-UHFFFAOYSA-N

LogP

0.3105

Topological Polar Surface Area

83.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Synonyms & References

English

5-acetyl-1H-Pyrazole-3-carboxylic acid
3-Acetyl-1H-pyrazole-5-carboxylic acid
5-acetyl-1H-pyrazole-3-carboxylic acid

MDL Number

MFCD05864511

FAQ

What is 3-Acetyl-1H-pyrazole-5-carboxylic acid (CAS: 1297537-45-1)?

3-Acetyl-1H-pyrazole-5-carboxylic acid is a chemical compound with the CAS number 1297537-45-1. It is a white to off-white solid with a characteristic odor. The chemical formula is C7H7NO3.

What are the main uses of 3-Acetyl-1H-pyrazole-5-carboxylic acid (CAS: 1297537-45-1)?

3-Acetyl-1H-pyrazole-5-carboxylic acid is primarily used as an intermediate in the synthesis of other chemical compounds. It is also utilized in pharmaceuticals for its potential biological activities and in research for various applications.

Is 3-Acetyl-1H-pyrazole-5-carboxylic acid (CAS: 1297537-45-1) safe?

3-Acetyl-1H-pyrazole-5-carboxylic acid is generally safe when handled appropriately. However, it should be used with caution and adequate protective measures, such as gloves and eye protection, as it may cause skin and eye irritation. Ingestion should be avoided.

How should 3-Acetyl-1H-pyrazole-5-carboxylic acid (CAS: 1297537-45-1) be stored?

3-Acetyl-1H-pyrazole-5-carboxylic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and contamination. The optimal storage temperature is below 25°C (77°F).