3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid

Basic Information

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CAS Number

77169-11-0

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=NN(C=C1C(=O)O)C2=CC=CC=C2

InChI

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

InChIKey

XSSINBQIDAICII-UHFFFAOYSA-N

LogP

1.87892

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

239

Synonyms & References

English

77169-11-0
CS-0058334
EN300-65276
DTXSID60411719
MFCD01415214
AKOS009112430
F2169-0609
1H-Pyrazole-4-carboxylicacid, 3-methyl-1-phenyl-
1-Phenyl-3-methylpyrazole-4-carboxylic acid
D87007
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, AldrichCPR
3-methyl-1-phenylpyrazole-4-carboxylic acid
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
XSSINBQIDAICII-UHFFFAOYSA-N
BS-14028
SCHEMBL4298023
Z228581550
3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Pyrazole-4-carboxylicacid, 3-methyl-1-phenyl- (6CI)

MDL Number

MFCD01415214

FAQ

What is 3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS: 77169-11-0)?

3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid is a chemical compound with the CAS number 77169-11-0. It is a white to off-white powder with a molecular formula of C11H11N3O2. This compound is characterized by its aromatic and amide properties, making it useful in various applications.

What are the main uses of 3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS: 77169-11-0)?

3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid is primarily used as an intermediate in the synthesis of other chemical compounds. It also finds applications in pharmaceuticals, where it can be used in the development of drugs. Additionally, it is utilized in research for its unique chemical properties.

Is 3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS: 77169-11-0) safe?

3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid is generally considered safe when handled with proper precautions. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) and ensuring adequate ventilation. Ingestion or contact with the skin should be avoided, and it should be stored away from heat and direct sunlight.

How should 3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS: 77169-11-0) be stored?

3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid should be stored in a tightly sealed container, protected from light and heat. It should be kept at room temperature, ideally between 15-25°C, and in a dry environment to prevent degradation. It is important to avoid storing it near moisture or other incompatible materials.