About 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline
4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline (PubChem CID 158445246) has the molecular formula C94H93F3N12O8S4
and a molecular weight of 1704.12 g/mol. Its IUPAC name is 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline.
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Frequently Asked Questions
What is the IUPAC name of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline?
The IUPAC name of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline (CID 158445246) is 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline.
What is the SMILES notation for 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline?
The canonical SMILES for 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline is CC(C)c1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cncc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)C)cc2)n(-c2cccc3cnccc23)n1.
What is the InChIKey of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline?
The InChIKey is HDHUASWDYQEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25N3O2S.C23H20F3N3O2S.C23H23N3O2S/c1-17-13-20(16-30(28,29)21-11-9-19(10-12-21)24(2,3)4)27(26-17)23-15-25-14-18-7-5-6-8-22(18)23;1-17-15-19(16-30(28,29)20-11-9-18(10-12-20)24(2,3)4)27(26-17)23-13-14-25-22-8-6-5-7-21(22)23;1-15(2)16-6-8-19(9-7-16)32(30,31)14-18-12-22(23(24,25)26)28-29(18)21-5-3-4-17-13-27-11-10-20(17)21;1-16(2)18-7-9-21(10-8-18)29(27,28)15-20-13-17(3)25-26(20)23-6-4-5-19-14-24-12-11-22(19)23/h2*5-15H,16H2,1-4H3;3-13,15H,14H2,1-2H3;4-14,16H,15H2,1-3H3.
What are the key properties of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline?
4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline has a molecular weight of 1704.12 g/mol, XLogP of 20.36, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline is sourced from PubChem (CID 158445246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).