2-methyl-1-(2-methylphenyl)pyrazol-2-ium

C11H13N2+ — CID 59016991

IUPAC2-methyl-1-(2-methylphenyl)pyrazol-2-ium
SMILESCc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C11H13N2/c1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-9H,1-2H3/q+1
InChIKeyHIVSWYXVUZRJAO-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.61
Rot. Bonds1

About 2-methyl-1-(2-methylphenyl)pyrazol-2-ium

2-methyl-1-(2-methylphenyl)pyrazol-2-ium (PubChem CID 59016991) has the molecular formula C11H13N2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)pyrazol-2-ium.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)pyrazol-2-ium
PubChem CID59016991
Molecular FormulaC11H13N2+
Molecular Weight173.24 g/mol
Exact Mass173.11
IUPAC Name2-methyl-1-(2-methylphenyl)pyrazol-2-ium
SMILESCc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C11H13N2/c1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-9H,1-2H3/q+1
InChIKeyHIVSWYXVUZRJAO-UHFFFAOYSA-N
XLogP1.61
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
CID 123148844
1-(3-tert-butyl-2-methylphenyl)-2-methylpyrazol-2-ium
CID 155769678
1,4-dimethyl-2-(2-methylphenyl)pyrazol-1-ium
CID 140705648
1-[5,10-bis(2,6-dimethylphenyl)-1-methylboranthren-2-yl]-2-methylpyrazol-2-ium
CID 153276276
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-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 170150348
(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
methane;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 159871340
1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 123422045
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-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole
CID 176737848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The IUPAC name of 2-methyl-1-(2-methylphenyl)pyrazol-2-ium (CID 59016991) is 2-methyl-1-(2-methylphenyl)pyrazol-2-ium.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)pyrazol-2-ium is Cc1ccccc1-n1ccc[n+]1C.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The InChIKey is HIVSWYXVUZRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2/c1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-9H,1-2H3/q+1.
What are the key properties of 2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
2-methyl-1-(2-methylphenyl)pyrazol-2-ium has a molecular weight of 173.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)pyrazol-2-ium is sourced from PubChem (CID 59016991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).