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

C129H163N10+5 — CID 157063107

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

3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium (PubChem CID 157063107) has the molecular formula C129H163N10+5 and a molecular weight of 1856.81 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium.

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium
• PubChem CID: 157063107
• Molecular Formula: C129H163N10+5
• Molecular Weight: 1856.81 g/mol
• Exact Mass: 1855.32
• IUPAC Name: 3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium
• SMILES: CCC1(C)c2c(-c3c(C)cccc3C)c[n+](C)n2-c2c(C)cccc2C1(C)C.CCC1(C)c2cc(-c3cc(C)cc(C)c3)[n+](C)n2-c2c(C)cccc2C1(C)C.CCC1(C)c2cc(-c3ccccc3)[n+](C)n2-c2c(C)cccc2C1(C)C.CCC1(CC)c2c(-c3c(C)cccc3C)c[n+](C)n2-c2c(C)cccc2C1(C)C.[2H]C([2H])([2H])c1cc(C)cc(-c2cc3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC)c1
• InChI: InChI=1S/C27H35N2.3C26H33N2.C24H29N2/c1-9-27(10-2)25-21(23-18(3)13-11-14-19(23)4)17-28(8)29(25)24-20(5)15-12-16-22(24)26(27,6)7;1-9-26(7)24-20(22-17(2)12-10-13-18(22)3)16-27(8)28(24)23-19(4)14-11-15-21(23)25(26,5)6;2*1-9-26(7)23-16-22(20-14-17(2)13-18(3)15-20)27(8)28(23)24-19(4)11-10-12-21(24)25(26,5)6;1-7-24(5)21-16-20(18-13-9-8-10-14-18)25(6)26(21)22-17(2)12-11-15-19(22)23(24,3)4/h11-17H,9-10H2,1-8H3;3*10-16H,9H2,1-8H3;8-16H,7H2,1-6H3/q5*+1/i;;2D3
• InChIKey: UGEUTMTVUMLLOQ-HFKDKDNGSA-N
• XLogP: 29.04
• TPSA: 44.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1856.81
LogP ≤ 5	29.04
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)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium?

The IUPAC name of 3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium (CID 157063107) is 3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium.

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

The canonical SMILES for 3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium is CCC1(C)c2c(-c3c(C)cccc3C)c[n+](C)n2-c2c(C)cccc2C1(C)C.CCC1(C)c2cc(-c3cc(C)cc(C)c3)[n+](C)n2-c2c(C)cccc2C1(C)C.CCC1(C)c2cc(-c3ccccc3)[n+](C)n2-c2c(C)cccc2C1(C)C.CCC1(CC)c2c(-c3c(C)cccc3C)c[n+](C)n2-c2c(C)cccc2C1(C)C.[2H]C([2H])([2H])c1cc(C)cc(-c2cc3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)CC)c1.

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

The InChIKey is UGEUTMTVUMLLOQ-HFKDKDNGSA-N. The full InChI is InChI=1S/C27H35N2.3C26H33N2.C24H29N2/c1-9-27(10-2)25-21(23-18(3)13-11-14-19(23)4)17-28(8)29(25)24-20(5)15-12-16-22(24)26(27,6)7;1-9-26(7)24-20(22-17(2)12-10-13-18(22)3)16-27(8)28(24)23-19(4)14-11-15-21(23)25(26,5)6;2*1-9-26(7)23-16-22(20-14-17(2)13-18(3)15-20)27(8)28(23)24-19(4)11-10-12-21(24)25(26,5)6;1-7-24(5)21-16-20(18-13-9-8-10-14-18)25(6)26(21)22-17(2)12-11-15-19(22)23(24,3)4/h11-17H,9-10H2,1-8H3;3*10-16H,9H2,1-8H3;8-16H,7H2,1-6H3/q5*+1/i;;2D3;;.

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

3-(2,6-dimethylphenyl)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium has a molecular weight of 1856.81 g/mol, XLogP of 29.04, 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)-4,4-diethyl-1,5,5,9-tetramethylpyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]pyrazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium is sourced from PubChem (CID 157063107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).