CAS 15802-80-9

3-(1,1-Dimethylethyl)-1H-pyrazole

Description:

3-(1,1-Dimethylethyl)-1H-pyrazole, with the CAS number 15802-80-9, is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a tert-butyl group (1,1-dimethylethyl) attached to the pyrazole, contributing to its hydrophobic characteristics and influencing its reactivity and solubility. It is typically a colorless to pale yellow liquid or solid, depending on the specific conditions and purity. The presence of the tert-butyl group enhances its stability and can affect its interactions with other molecules, making it useful in various chemical applications, including as a ligand in coordination chemistry and in the synthesis of pharmaceuticals. Additionally, 3-(1,1-Dimethylethyl)-1H-pyrazole may exhibit biological activity, which can be explored in medicinal chemistry. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₇H₁₂N₂

InChI: InChI=1S/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9)

InChI key: InChIKey=YIDCITOHTLPMMZ-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1C=CNN1

Synonyms:

• 1H-pyrazole, 3-(1,1-dimethylethyl)-
• 1H-pyrazole, 5-(1,1-dimethylethyl)-
• 3-(1,1-Dimethylethyl)-1H-pyrazole
• 3-tert-Butylpyrazole
• 5-tert-butyl-1H-pyrazole
• Pyrazole, 3-tert-butyl-
• 3-tert-Butyl-1H-pyrazole
• 3-tert-Butyl-1H-pyrazole

1H-Pyrazole, 3-(1,1-dimethylethyl)-

CAS: 15802-80-9

Formula: C₇H₁₂N₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 124.1836

Ref: IN-DA001PWU

3-tert-Butyl-1H-pyrazole

CAS: 15802-80-9

3-tert-Butyl-1H-pyrazole

Purity: 99%

Molecular weight: 124.18g/mol

Ref: 54-OR909140

3-tert-butyl-1H-pyrazole

CAS: 15802-80-9

Formula: C₇H₁₂N₂

Purity: 97%

Color and Shape: Solid, Crystalline

Molecular weight: 124.187

Ref: 10-F311344