4-Ethynyl-1,3-dimethyl-1H-pyrazole

Basic Information

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CAS Number

61514-53-2

Molecular Formula

C7H8N2

Molecular Weight

110.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CC1=NN(C=C1C#C)C

InChI

InChI=1S/C7H8N2/c1-4-7-5-9(3)8-6(7)2/h1,5H,2-3H3

InChIKey

DEQRCEZDXARLDX-UHFFFAOYSA-N

LogP

1.03694

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

144

Synonyms & References

English

InChI=1/C7H8N2/c1-4-7-5-9(3)8-6(7)2/h1,5H,2-3H3
CS-0241443
SCHEMBL16630476
4-Ethynyl-1,3-dimethyl-1H-pyrazole
61514-53-2
DTXSID50486012
1H-Pyrazole, 4-ethynyl-1,3-dimethyl-
DEQRCEZDXARLDX-UHFFFAOYSA-
E84350
4-(1-ETHYNYL)-1,3-DIMETHYL-1H-PYRAZOLE
LCZC2634
4-ethynyl-1,3-dimethyl-1{H}-pyrazole
4-ethynyl-1,3-dimethylpyrazole
AKOS015921186
EN300-232829
MFCD24540411

MDL Number

MFCD24540411

FAQ

What is 4-Ethynyl-1,3-dimethyl-1H-pyrazole (CAS: 61514-53-2)?

4-Ethynyl-1,3-dimethyl-1H-pyrazole is an organic compound with the CAS number 61514-53-2. It has the chemical formula C7H7N2 and is known for its unique electronic structure. This compound is characterized by its pyrazole ring with a methyl group at both the 1 and 3 positions and an ethynyl group at the 4 position.

What are the main uses of 4-Ethynyl-1,3-dimethyl-1H-pyrazole (CAS: 61514-53-2)?

4-Ethynyl-1,3-dimethyl-1H-pyrazole is primarily used in pharmaceutical research for its potential as a drug lead. It also has applications in the synthesis of other compounds and as a reagent in academic and industrial laboratories.

Is 4-Ethynyl-1,3-dimethyl-1H-pyrazole (CAS: 61514-53-2) safe?

4-Ethynyl-1,3-dimethyl-1H-pyrazole is generally considered safe for laboratory use when handled with proper precautions. However, it is important to use personal protective equipment such as gloves and goggles. Avoid inhalation and skin contact. Ensure that it is stored in a well-ventilated area and kept away from heat sources and open flames.

How should 4-Ethynyl-1,3-dimethyl-1H-pyrazole (CAS: 61514-53-2) be stored?

4-Ethynyl-1,3-dimethyl-1H-pyrazole 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 degradation. The storage area should be well-ventilated to minimize the risk of inhalation exposure. Avoid contact with incompatible materials such as oxidizing agents.