Table 9 Prediction of pyrazole chemical toxicity risks and outcomes
No | Pyrazole compounds | Toxicity risks | Physicochemical properties | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
Mutagenic | Tumorigenic | Irritant | Reproductive | CLogP | Solubility | Molecular Weight | TPSA | Drug likeness | Drug score | ||
1 | 3b | (−) | (−) | (−) | (−) | 3.84 | −5.30 | 420.0 | 79.94 | 0.51 | 0.44 |
2 | 3g | (−) | (−) | (−) | (−) | 2.78 | −5.40 | 397.0 | 108.3 | 1.17 | 0.52 |
3 | 3h | (−) | (−) | (−) | (−) | 3.39 | −6.68 | 447.0 | 108.3 | 1.75 | 0.41 |
4 | 10b | (+) | (+) | (−) | (+) | 6.18 | −8.41 | 552.0 | 110.3 | −4.51 | 0.02 |
5 | 12 | (−) | (−) | (−) | (−) | 1.10 | −3.63 | 385.0 | 79.59 | 7.4 | 0.64 |
6 | 7 | (−) | (−) | (−) | (−) | 0.50 | −3.90 | 327.0 | 82.74 | 1.47 | 0.72 |