HYDROPHOBICITY OF HETEROCYCLES - DETERMINATION OF THE PI-VALUES OF SUBSTITUENTS ON N-PHENYLPYRAZOLES

Authors
GAGO F PASTOR M PEREZBUTRAGUENO J LOPEZ R ALVAREZBUILLA J ELGUERO J
Citation
F. Gago et al., HYDROPHOBICITY OF HETEROCYCLES - DETERMINATION OF THE PI-VALUES OF SUBSTITUENTS ON N-PHENYLPYRAZOLES, Quantitative structure-activity relationships, 13(2), 1994, pp. 165-171
Citations number
35
Categorie Soggetti
Pharmacology & Pharmacy
Journal title
Quantitative structure-activity relationships → ACNP
ISSN journal
09318771
Volume
13
Issue
2
Year of publication
1994
Pages
165 - 171
Database
ISI
SICI code
0931-8771(1994)13:2<165:HOH-DO>2.0.ZU;2-6
Abstract
HPLC retention (log k') and hydrophobic parameter (log P-o/w) have bee n determined for 66 N-phenylpyrazole derivatives with different substi tution patterns, and pi(pyrazole) constants have been calculated for s everal substituents in the positions 3-, 4- and 5- of pyrazole. A Line ar relationship has been found between pi(pyrazole) and the classical pi(benzene) constants. The data obtained can greatly improve the quali ty of QSAR equations involving pyrazole derivatives.