2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine

C104H120N15+5 — CID 157298129

IUPAC2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine
SMILESCc1cc(C)c(-n2cc(-c3c(C)cccc3C)c[n+]2C)c(C)n1.Cc1cc(C)c(-n2cc(-c3ccccc3)c[n+]2C)c(C)n1.Cc1cccc(-c2ccccc2)c1-c1cn(-c2c(C)ccnc2C)[n+](C)c1.Cc1cccc(C)c1-c1cn(-c2c(C)ccnc2C)[n+](C)c1.Cc1ccnc(C)c1-n1cc(-c2c(C(C)C)cccc2C(C)C)c[n+]1C
InChIInChI=1S/C24H24N3.C23H30N3.C20H24N3.C19H22N3.C18H20N3/c1-17-9-8-12-22(20-10-6-5-7-11-20)23(17)21-15-26(4)27(16-21)24-18(2)13-14-25-19(24)3;1-15(2)20-9-8-10-21(16(3)4)22(20)19-13-25(7)26(14-19)23-17(5)11-12-24-18(23)6;1-13-8-7-9-14(2)19(13)18-11-22(6)23(12-18)20-15(3)10-16(4)21-17(20)5;1-13-7-6-8-14(2)18(13)17-11-21(5)22(12-17)19-15(3)9-10-20-16(19)4;1-13-10-14(2)19-15(3)18(13)21-12-17(11-20(21)4)16-8-6-5-7-9-16/h5-16H,1-4H3;8-16H,1-7H3;7-12H,1-6H3;6-12H,1-5H3;5-12H,1-4H3/q5*+1
InChIKeyNXAJOJBHKOPBAF-UHFFFAOYSA-N
MW1580.21 g/mol
LogP20.98
Rot. Bonds13

About 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine

2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine (PubChem CID 157298129) has the molecular formula C104H120N15+5 and a molecular weight of 1580.21 g/mol. Its IUPAC name is 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine.

Molecular Properties

Compound Name2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine
PubChem CID157298129
Molecular FormulaC104H120N15+5
Molecular Weight1580.21 g/mol
Exact Mass1578.98
IUPAC Name2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine
SMILESCc1cc(C)c(-n2cc(-c3c(C)cccc3C)c[n+]2C)c(C)n1.Cc1cc(C)c(-n2cc(-c3ccccc3)c[n+]2C)c(C)n1.Cc1cccc(-c2ccccc2)c1-c1cn(-c2c(C)ccnc2C)[n+](C)c1.Cc1cccc(C)c1-c1cn(-c2c(C)ccnc2C)[n+](C)c1.Cc1ccnc(C)c1-n1cc(-c2c(C(C)C)cccc2C(C)C)c[n+]1C
InChIInChI=1S/C24H24N3.C23H30N3.C20H24N3.C19H22N3.C18H20N3/c1-17-9-8-12-22(20-10-6-5-7-11-20)23(17)21-15-26(4)27(16-21)24-18(2)13-14-25-19(24)3;1-15(2)20-9-8-10-21(16(3)4)22(20)19-13-25(7)26(14-19)23-17(5)11-12-24-18(23)6;1-13-8-7-9-14(2)19(13)18-11-22(6)23(12-18)20-15(3)10-16(4)21-17(20)5;1-13-7-6-8-14(2)18(13)17-11-21(5)22(12-17)19-15(3)9-10-20-16(19)4;1-13-10-14(2)19-15(3)18(13)21-12-17(11-20(21)4)16-8-6-5-7-9-16/h5-16H,1-4H3;8-16H,1-7H3;7-12H,1-6H3;6-12H,1-5H3;5-12H,1-4H3/q5*+1
InChIKeyNXAJOJBHKOPBAF-UHFFFAOYSA-N
XLogP20.98
TPSA108.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms119
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001580.21
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine?
The IUPAC name of 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine (CID 157298129) is 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine.
What is the SMILES notation for 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine?
The canonical SMILES for 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine is Cc1cc(C)c(-n2cc(-c3c(C)cccc3C)c[n+]2C)c(C)n1.Cc1cc(C)c(-n2cc(-c3ccccc3)c[n+]2C)c(C)n1.Cc1cccc(-c2ccccc2)c1-c1cn(-c2c(C)ccnc2C)[n+](C)c1.Cc1cccc(C)c1-c1cn(-c2c(C)ccnc2C)[n+](C)c1.Cc1ccnc(C)c1-n1cc(-c2c(C(C)C)cccc2C(C)C)c[n+]1C.
What is the InChIKey of 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine?
The InChIKey is NXAJOJBHKOPBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N3.C23H30N3.C20H24N3.C19H22N3.C18H20N3/c1-17-9-8-12-22(20-10-6-5-7-11-20)23(17)21-15-26(4)27(16-21)24-18(2)13-14-25-19(24)3;1-15(2)20-9-8-10-21(16(3)4)22(20)19-13-25(7)26(14-19)23-17(5)11-12-24-18(23)6;1-13-8-7-9-14(2)19(13)18-11-22(6)23(12-18)20-15(3)10-16(4)21-17(20)5;1-13-7-6-8-14(2)18(13)17-11-21(5)22(12-17)19-15(3)9-10-20-16(19)4;1-13-10-14(2)19-15(3)18(13)21-12-17(11-20(21)4)16-8-6-5-7-9-16/h5-16H,1-4H3;8-16H,1-7H3;7-12H,1-6H3;6-12H,1-5H3;5-12H,1-4H3/q5*+1.
What are the key properties of 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine?
2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine has a molecular weight of 1580.21 g/mol, XLogP of 20.98, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine is sourced from PubChem (CID 157298129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).