5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium

C84H103F5N12+8 — CID 157485320

About 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium

5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium (PubChem CID 157485320) has the molecular formula C84H103F5N12+8 and a molecular weight of 1375.82 g/mol. Its IUPAC name is 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium
• PubChem CID: 157485320
• Molecular Formula: C84H103F5N12+8
• Molecular Weight: 1375.82 g/mol
• Exact Mass: 1374.83
• IUPAC Name: 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium
• SMILES: Cc1c(-c2c[n+](C)cn2C)cccc1-c1cccc[n+]1C.Cc1c(-c2ccc(C(C)(C)C)c[n+]2C)c(F)cc(F)c1-n1ccc[n+]1C.Cc1c(-c2ccc(C(C)(C)C)c[n+]2C)cc(C(F)(F)F)cc1-n1ccc[n+]1C.Cc1cc(C)c(-n2ccc[n+]2C)c(C)c1-c1ccc(C(C)(C)C)c[n+]1C
• InChI: InChI=1S/C23H31N3.C22H26F3N3.C21H25F2N3.C18H21N3/c1-16-14-17(2)22(26-13-9-12-25(26)8)18(3)21(16)20-11-10-19(15-24(20)7)23(4,5)6;1-15-18(19-9-8-16(14-26(19)5)21(2,3)4)12-17(22(23,24)25)13-20(15)28-11-7-10-27(28)6;1-14-19(18-9-8-15(13-24(18)5)21(2,3)4)16(22)12-17(23)20(14)26-11-7-10-25(26)6;1-14-15(17-10-5-6-11-20(17)3)8-7-9-16(14)18-12-19(2)13-21(18)4/h9-15H,1-8H3;7-14H,1-6H3;7-13H,1-6H3;5-13H,1-4H3/q4*+2
• InChIKey: FRWAKJSSFTUDMQ-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 50.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.82
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

The IUPAC name of 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium (CID 157485320) is 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium.

What is the SMILES notation for 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

The canonical SMILES for 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium is Cc1c(-c2c[n+](C)cn2C)cccc1-c1cccc[n+]1C.Cc1c(-c2ccc(C(C)(C)C)c[n+]2C)c(F)cc(F)c1-n1ccc[n+]1C.Cc1c(-c2ccc(C(C)(C)C)c[n+]2C)cc(C(F)(F)F)cc1-n1ccc[n+]1C.Cc1cc(C)c(-n2ccc[n+]2C)c(C)c1-c1ccc(C(C)(C)C)c[n+]1C.

What is the InChIKey of 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

The InChIKey is FRWAKJSSFTUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3.C22H26F3N3.C21H25F2N3.C18H21N3/c1-16-14-17(2)22(26-13-9-12-25(26)8)18(3)21(16)20-11-10-19(15-24(20)7)23(4,5)6;1-15-18(19-9-8-16(14-26(19)5)21(2,3)4)12-17(22(23,24)25)13-20(15)28-11-7-10-27(28)6;1-14-19(18-9-8-15(13-24(18)5)21(2,3)4)16(22)12-17(23)20(14)26-11-7-10-25(26)6;1-14-15(17-10-5-6-11-20(17)3)8-7-9-16(14)18-12-19(2)13-21(18)4/h9-15H,1-8H3;7-14H,1-6H3;7-13H,1-6H3;5-13H,1-4H3/q4*+2.

What are the key properties of 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium has a molecular weight of 1375.82 g/mol, XLogP of 14.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium is sourced from PubChem (CID 157485320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).