1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium

C15H20N5+3 — CID 123422045

IUPAC1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
SMILESCc1cc(-n2ccc[n+]2C)[n+](C)c(-n2ccc[n+]2C)c1
InChIInChI=1S/C15H20N5/c1-13-11-14(19-9-5-7-16(19)2)18(4)15(12-13)20-10-6-8-17(20)3/h5-12H,1-4H3/q+3
InChIKeyIDNOGHXFLQUOKN-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.05
Rot. Bonds2

About 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium

1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium (PubChem CID 123422045) has the molecular formula C15H20N5+3 and a molecular weight of 270.36 g/mol. Its IUPAC name is 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
PubChem CID123422045
Molecular FormulaC15H20N5+3
Molecular Weight270.36 g/mol
Exact Mass270.17
IUPAC Name1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
SMILESCc1cc(-n2ccc[n+]2C)[n+](C)c(-n2ccc[n+]2C)c1
InChIInChI=1S/C15H20N5/c1-13-11-14(19-9-5-7-16(19)2)18(4)15(12-13)20-10-6-8-17(20)3/h5-12H,1-4H3/q+3
InChIKeyIDNOGHXFLQUOKN-UHFFFAOYSA-N
XLogP0.05
TPSA21.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 170150348
1,4-dimethyl-2-(6-methyl-3-propylcyclohepta-1,4,6-trien-1-yl)-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 123524317
2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 59016991
2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
CID 123148844
1-(3-tert-butyl-2-methylphenyl)-2-methylpyrazol-2-ium
CID 155769678
(2R)-1-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-2,3-dimethyl-2H-imidazole;(2R)-1,2-dimethyl-3-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-2H-imidazole;ethane
CID 158909155
1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium
CID 153464716
1-[10-[2,6-bis(trideuteriomethyl)phenyl]-3-methyl-5-[2-methyl-6-(trideuteriomethyl)phenyl]boranthren-2-yl]-2-methylpyrazol-2-ium
CID 159556617
1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2-methylpyrazol-2-ium
CID 158426429
5,12-dimethyl-13-(2-methylpyrazol-2-ium-1-yl)-8,16-dioxa-6-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 140827550
1-[5,10-bis(2,6-dimethylphenyl)-1-methylboranthren-2-yl]-2-methylpyrazol-2-ium
CID 153276276
2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole
CID 140827949

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
The IUPAC name of 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium (CID 123422045) is 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium.
What is the SMILES notation for 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
The canonical SMILES for 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium is Cc1cc(-n2ccc[n+]2C)[n+](C)c(-n2ccc[n+]2C)c1.
What is the InChIKey of 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
The InChIKey is IDNOGHXFLQUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N5/c1-13-11-14(19-9-5-7-16(19)2)18(4)15(12-13)20-10-6-8-17(20)3/h5-12H,1-4H3/q+3.
What are the key properties of 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium has a molecular weight of 270.36 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium is sourced from PubChem (CID 123422045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).