CAS 1354705-19-3

1-Butyl-4-iodo-1H-pyrazole-5-carboxylic acid

Description:

1-Butyl-4-iodo-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. The presence of a butyl group and an iodine atom at specific positions on the pyrazole ring contributes to its unique chemical properties. This compound features a carboxylic acid functional group, which imparts acidic characteristics and enhances its solubility in polar solvents. The iodine substituent can influence the compound's reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Additionally, the butyl group may affect the compound's hydrophobicity and overall molecular interactions. Due to these features, 1-butyl-4-iodo-1H-pyrazole-5-carboxylic acid may find applications in medicinal chemistry, agrochemicals, or as an intermediate in organic synthesis. Its specific properties, such as melting point, boiling point, and spectral characteristics, would typically be determined through experimental methods and may vary based on purity and environmental conditions.

Formula: C₈H₁₁IN₂O₂

InChI: InChI=1S/C8H11IN2O2/c1-2-3-4-11-7(8(12)13)6(9)5-10-11/h5H,2-4H2,1H3,(H,12,13)

InChI key: InChIKey=SBESLVYHUYHMAT-UHFFFAOYSA-N

SMILES: C(CCC)N1C(C(O)=O)=C(I)C=N1

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 1-butyl-4-iodo-
• 1-Butyl-4-iodo-1H-pyrazole-5-carboxylic acid

1-Butyl-4-iodo-1H-pyrazole-5-carboxylic acid

CAS: 1354705-19-3

Versatile small molecule scaffold

Formula: C₈H₁₁IN₂O₂

Purity: Min. 95%

Molecular weight: 294.09 g/mol

Ref: 3D-EEC70519