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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium

C108H120F12N8+4 — CID 157833609

About 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium

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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium (PubChem CID 157833609) has the molecular formula C108H120F12N8+4 and a molecular weight of 1761.20 g/mol. Its IUPAC name is 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium.

Molecular Properties

• Compound Name: 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium
• PubChem CID: 157833609
• Molecular Formula: C108H120F12N8+4
• Molecular Weight: 1761.20 g/mol
• Exact Mass: 1760.97
• IUPAC Name: 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium
• SMILES: [2H]C([2H])([2H])C1=CC(=CC(=C1)C2=[N+](N3C(=C2)C(C(C4=CC=CC(=C43)C)(C)C)(C)CC(F)(F)F)C)C.CC1=C2C(=CC=C1)C(C(C3=CC(=[N+](N32)C)C4=CC=CC=C4)(C)CC(F)(F)F)(C)C.CC1=C2C(=CC=C1)C(C(C3=CC(=[N+](N32)C)C4=CC(=CC(=C4)C)C)(C)CC(F)(F)F)(C)C.CC1=C2C(=CC=C1)C(C(C3=C(C(=[N+](N23)C)C4=CC(=CC(=C4)C)C)C5=CC=CC=C5)(C)CC(F)(F)F)(C)C
• InChI: InChI=1S/C32H34F3N2.2C26H30F3N2.C24H26F3N2/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;1-16-10-9-13-18-21(16)29-20(23(4,22(18,2)3)15-24(25,26)27)14-19(28(29)5)17-11-7-6-8-12-17/h8-18H,19H2,1-7H3;2*8-14H,15H2,1-7H3;6-14H,15H2,1-5H3/q4*+1/i;1D3
• InChIKey: WMHSWPMWRMFNEU-LPGALAGZSA-N
• XLogP: —
• TPSA: 35.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: 2040

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1761.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The IUPAC name of 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium (CID 157833609) is 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium.

What is the SMILES notation for 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The canonical SMILES for 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium is [2H]C([2H])([2H])C1=CC(=CC(=C1)C2=[N+](N3C(=C2)C(C(C4=CC=CC(=C43)C)(C)C)(C)CC(F)(F)F)C)C.CC1=C2C(=CC=C1)C(C(C3=CC(=[N+](N32)C)C4=CC=CC=C4)(C)CC(F)(F)F)(C)C.CC1=C2C(=CC=C1)C(C(C3=CC(=[N+](N32)C)C4=CC(=CC(=C4)C)C)(C)CC(F)(F)F)(C)C.CC1=C2C(=CC=C1)C(C(C3=C(C(=[N+](N23)C)C4=CC(=CC(=C4)C)C)C5=CC=CC=C5)(C)CC(F)(F)F)(C)C.

What is the InChIKey of 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

The InChIKey is WMHSWPMWRMFNEU-LPGALAGZSA-N. The full InChI is InChI=1S/C32H34F3N2.2C26H30F3N2.C24H26F3N2/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;1-16-10-9-13-18-21(16)29-20(23(4,22(18,2)3)15-24(25,26)27)14-19(28(29)5)17-11-7-6-8-12-17/h8-18H,19H2,1-7H3;2*8-14H,15H2,1-7H3;6-14H,15H2,1-5H3/q4*+1/i;1D3;;.

What are the key properties of 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium?

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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium has a molecular weight of 1761.20 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium is sourced from PubChem (CID 157833609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).