(2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium

C96H110F9N8+3 — CID 158484206

About (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium

(2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium (PubChem CID 158484206) has the molecular formula C96H110F9N8+3 and a molecular weight of 1549.99 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium.

Molecular Properties

• Compound Name: (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium
• PubChem CID: 158484206
• Molecular Formula: C96H110F9N8+3
• Molecular Weight: 1549.99 g/mol
• Exact Mass: 1548.89
• IUPAC Name: (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium
• SMILES: Cc1cc(C)cc(-c2c(-c3ccccc3)c3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC(F)(F)F)c1.Cc1cc(C)cc(-c2cc3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC(F)(F)F)c1.Cc1ccccc1N1C=CN(C)[C@H]1C.[2H]C([2H])([2H])c1cc(C)cc(-c2cc3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC(F)(F)F)c1
• InChI: InChI=1S/C32H34F3N2.2C26H30F3N2.C12H16N2/c1-20-16-21(2)18-24(17-20)28-26(23-13-9-8-10-14-23)29-31(6,19-32(33,34)35)30(4,5)25-15-11-12-22(3)27(25)37(29)36(28)7;2*1-16-11-17(2)13-19(12-16)21-14-22-25(6,15-26(27,28)29)24(4,5)20-10-8-9-18(3)23(20)31(22)30(21)7;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h8-18H,19H2,1-7H3;2*8-14H,15H2,1-7H3;4-9,11H,1-3H3/q3*+1;/t;;;11-/m...1/s1/i;1D3
• InChIKey: CVPMJFIFWTXJJO-ITSNCTQZSA-N
• XLogP: 23.42
• TPSA: 32.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1549.99
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The IUPAC name of (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium (CID 158484206) is (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium.

What is the SMILES notation for (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The canonical SMILES for (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium is Cc1cc(C)cc(-c2c(-c3ccccc3)c3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC(F)(F)F)c1.Cc1cc(C)cc(-c2cc3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC(F)(F)F)c1.Cc1ccccc1N1C=CN(C)[C@H]1C.[2H]C([2H])([2H])c1cc(C)cc(-c2cc3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC(F)(F)F)c1.

What is the InChIKey of (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The InChIKey is CVPMJFIFWTXJJO-ITSNCTQZSA-N. The full InChI is InChI=1S/C32H34F3N2.2C26H30F3N2.C12H16N2/c1-20-16-21(2)18-24(17-20)28-26(23-13-9-8-10-14-23)29-31(6,19-32(33,34)35)30(4,5)25-15-11-12-22(3)27(25)37(29)36(28)7;2*1-16-11-17(2)13-19(12-16)21-14-22-25(6,15-26(27,28)29)24(4,5)20-10-8-9-18(3)23(20)31(22)30(21)7;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h8-18H,19H2,1-7H3;2*8-14H,15H2,1-7H3;4-9,11H,1-3H3/q3*+1;/t;;;11-/m...1/s1/i;1D3;;.

What are the key properties of (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

(2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium has a molecular weight of 1549.99 g/mol, XLogP of 23.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium is sourced from PubChem (CID 158484206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).