Table 7.

In silico toxicity prediction of the most active pyrazole and pyrazolo[1,5-a]pyrimidine derivatives compared with acetazolamide as positive control.

Oral Toxicity Prediction		Most-Active Pyrazole and Pyrazolo[1,5-a]pyrimidine Derivatives and Acetazolamide as Positive Control
		3a	5a	6	9a	10a	ACZ
	Oral Toxicity Prediction
ProTox-II prediction	LD50 mg/kg	5000	500	928	300	300	4300
	Toxicity Class	V	IV	IV	III	III	V
	Hepatotoxicity	Inactive 0.50	Inactive 0.59	Inactive 0.62	Inactive 0.62	Inactive 0.60	Inactive 0.56
	Carcinogenicity	Active 0.60	Active 0.54	Active 0.65	Active 0.55	Inactive 0.56	Active 0.51
	Immunotoxicity	Inactive 0.99	Inactive 0.97	Inactive 0.99	Inactive 0.99	Inactive 0.99	Inactive 0.99
	Cytotoxicity	Inactive 0.74	Inactive 0.60	Inactive 0.61	Inactive 0.53	Inactive 0.70	Inactive 0.54
	Aryl Hydrocarbon Receptor (AhR)	Inactive 0.50	Inactive 0.54	Active 0.64	Inactive 0.94	Inactive 0.62	Inactive 0.99
	Phosphoprotein (Tumor Suppressor) p53	Inactive 0.84	Inactive 0.85	Inactive 0.80	Inactive 0.77	Inactive 0.86	Inactive 0.99