3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium

C126H145F12N10+5 — CID 162018063

About 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium

3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium (PubChem CID 162018063) has the molecular formula C126H145F12N10+5 and a molecular weight of 2033.63 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium.

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium
• PubChem CID: 162018063
• Molecular Formula: C126H145F12N10+5
• Molecular Weight: 2033.63 g/mol
• Exact Mass: 2032.18
• IUPAC Name: 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium
• SMILES: Cc1cccc(C)c1-c1c[n+](C)n2c1C(C)(CC(F)(F)F)C(C)(C)c1cccc(C)c1-2.Cc1cccc2c1-n1c(c(-c3ccccc3)c[n+]1C)C(C)(CC(F)(F)F)C2(C)C.Cc1cccc2c1-n1c(cc[n+]1C)C(C)(CC(F)(F)F)C2(C)C.[2H]C([2H])([2H])c1cc(C)cc(-c2c(-c3ccccc3)c3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC)c1.[2H]C([2H])([2H])c1cccc(C)c1-c1c[n+](C)n2c1C(C)(CC(F)(F)F)C(C)(C)c1cccc(C)c1-2
• InChI: InChI=1S/C32H37N2.2C26H30F3N2.C24H26F3N2.C18H22F3N2/c1-9-32(7)30-27(24-15-11-10-12-16-24)29(25-19-21(2)18-22(3)20-25)33(8)34(30)28-23(4)14-13-17-26(28)31(32,5)6;2*1-16-10-8-11-17(2)21(16)19-14-30(7)31-22-18(3)12-9-13-20(22)24(4,5)25(6,23(19)31)15-26(27,28)29;1-16-10-9-13-19-20(16)29-21(23(4,22(19,2)3)15-24(25,26)27)18(14-28(29)5)17-11-7-6-8-12-17;1-12-7-6-8-13-15(12)23-14(9-10-22(23)5)17(4,16(13,2)3)11-18(19,20)21/h10-20H,9H2,1-8H3;2*8-14H,15H2,1-7H3;6-14H,15H2,1-5H3;6-10H,11H2,1-5H3/q5*+1/i2D3;1D3
• InChIKey: RQSXLBAERBQSHA-OGZUPGQLSA-N
• XLogP: 30.20
• TPSA: 44.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2033.63
LogP ≤ 5	30.20
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 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The IUPAC name of 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium (CID 162018063) is 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium.

What is the SMILES notation for 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The canonical SMILES for 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium is Cc1cccc(C)c1-c1c[n+](C)n2c1C(C)(CC(F)(F)F)C(C)(C)c1cccc(C)c1-2.Cc1cccc2c1-n1c(c(-c3ccccc3)c[n+]1C)C(C)(CC(F)(F)F)C2(C)C.Cc1cccc2c1-n1c(cc[n+]1C)C(C)(CC(F)(F)F)C2(C)C.[2H]C([2H])([2H])c1cc(C)cc(-c2c(-c3ccccc3)c3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC)c1.[2H]C([2H])([2H])c1cccc(C)c1-c1c[n+](C)n2c1C(C)(CC(F)(F)F)C(C)(C)c1cccc(C)c1-2.

What is the InChIKey of 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The InChIKey is RQSXLBAERBQSHA-OGZUPGQLSA-N. The full InChI is InChI=1S/C32H37N2.2C26H30F3N2.C24H26F3N2.C18H22F3N2/c1-9-32(7)30-27(24-15-11-10-12-16-24)29(25-19-21(2)18-22(3)20-25)33(8)34(30)28-23(4)14-13-17-26(28)31(32,5)6;2*1-16-10-8-11-17(2)21(16)19-14-30(7)31-22-18(3)12-9-13-20(22)24(4,5)25(6,23(19)31)15-26(27,28)29;1-16-10-9-13-19-20(16)29-21(23(4,22(19,2)3)15-24(25,26)27)18(14-28(29)5)17-11-7-6-8-12-17;1-12-7-6-8-13-15(12)23-14(9-10-22(23)5)17(4,16(13,2)3)11-18(19,20)21/h10-20H,9H2,1-8H3;2*8-14H,15H2,1-7H3;6-14H,15H2,1-5H3;6-10H,11H2,1-5H3/q5*+1/i2D3;1D3;;;.

What are the key properties of 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium has a molecular weight of 2033.63 g/mol, XLogP of 30.20, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium is sourced from PubChem (CID 162018063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).