3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

46413-67-6

Molecular Formula

C11H10N2O2

Molecular Weight

202.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)

InChIKey

BGTWUOQARPOYER-UHFFFAOYSA-N

LogP

2.0833199999999996

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

237

Synonyms & References

English

3-p-tolyl-1h-pyrazole-5-carboxylic acid
MLS000124028
DTXSID10355932
BDBM50132133
1H-Pyrazole-5-carboxylic acid, 3-(4-methylphenyl)-
Z57683741
3-(p-Tolyl)-1H-pyrazole-5-carboxylicacid
5-(4-Methylphenyl)pyrazole-3-carboxylic Acid
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
VU0607278-1
MLS-0091963.0001
5-p-Tolyl-2H-pyrazole-3-carboxylic acid
5-(4-methylphenyl)-2H-pyrazole-3-carboxylic acid
CHEMBL341154
5-(p-Tolyl)-1H-pyrazole-3-carboxylic acid
FT-0677278
EN300-26176
cid_818267
3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid, AldrichCPR
A861340
A919127
SCHEMBL15094586
3-(4-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLICACID
5-p-Tolyl-1H-pyrazole-3-carboxylic acid
J-510735
5-(4-Methylphenyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR
BB 0217970
F3250-0576
3-p-Tolyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
890007-12-2
46413-67-6

MDL Number

MFCD03030169

FAQ

What is 3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS: 46413-67-6)?

3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid, also known as 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid, is a chemical compound with the CAS number 46413-67-6. It belongs to the class of organic compounds known as pyrazole carboxylic acids. This compound has a molecular formula of C11H12N2O2 and is characterized by its aromatic and nitrogen-containing heterocyclic structure.

What are the main uses of 3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS: 46413-67-6)?

3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also utilized in the research and development of new chemical entities. Additionally, it has potential applications in the synthesis of organic materials and as a reagent in organic synthesis processes.

Is 3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS: 46413-67-6) safe?

3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid is generally considered safe for laboratory use when handled with appropriate precautions. However, it is important to follow safety guidelines, including wearing protective equipment such as gloves and goggles. Ensure proper ventilation and avoid contact with skin and eyes. Ingestion or inhalation should be avoided, and spills should be cleaned up according to standard procedures.

How should 3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS: 46413-67-6) be stored?

3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep the compound in a tightly sealed container to prevent contamination and degradation. Store it at room temperature, ideally between 15°C and 25°C. Avoid exposure to moisture and ensure that the storage area is well-ventilated.