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

被引：6

作者：

GAGO, F

PASTOR, M

PEREZBUTRAGUENO, J

LOPEZ, R

ALVAREZBUILLA, J

ELGUERO, J

机构：

[1] UNIV ALCALA DE HENARES, DEPT FARMACOL, E-28871 ALCALA DE HENARES, SPAIN

[2] UNIV ALCALA DE HENARES, DEPT QUIM ORGAN, E-28871 ALCALA DE HENARES, SPAIN

来源：

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS | 1994年 / 13卷 / 02期

关键词：

LOG P; PARTITION COEFFICIENTS; PI HYDROPHOBIC CONSTANTS; MULTIPLE REGRESSION ANALYSIS; PYRAZOLE;

D O I：

10.1002/qsar.19940130207

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

HPLC retention (log k') and hydrophobic parameter (log P-o/w) have been determined for 66 N-phenylpyrazole derivatives with different substitution patterns, and pi(pyrazole) constants have been calculated for several substituents in the positions 3-, 4- and 5- of pyrazole. A Linear relationship has been found between pi(pyrazole) and the classical pi(benzene) constants. The data obtained can greatly improve the quality of QSAR equations involving pyrazole derivatives.

引用

页码：165 / 171

页数：7

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