1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium

C19H21N2+ — CID 157199788

IUPAC1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium
SMILESCc1ccccc1-c1cc(-c2ccccc2C)[n+](C)n1C
InChIInChI=1S/C19H21N2/c1-14-9-5-7-11-16(14)18-13-19(21(4)20(18)3)17-12-8-6-10-15(17)2/h5-13H,1-4H3/q+1
InChIKeyJKOMTBFRNBPDMU-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.80
Rot. Bonds2

About 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium

1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium (PubChem CID 157199788) has the molecular formula C19H21N2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium.

Molecular Properties

Compound Name1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium
PubChem CID157199788
Molecular FormulaC19H21N2+
Molecular Weight277.39 g/mol
Exact Mass277.17
IUPAC Name1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium
SMILESCc1ccccc1-c1cc(-c2ccccc2C)[n+](C)n1C
InChIInChI=1S/C19H21N2/c1-14-9-5-7-11-16(14)18-13-19(21(4)20(18)3)17-12-8-6-10-15(17)2/h5-13H,1-4H3/q+1
InChIKeyJKOMTBFRNBPDMU-UHFFFAOYSA-N
XLogP3.80
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethylphenyl)-1,2-dimethyl-5-phenylpyrazol-2-ium
CID 154242726
3-(3,5-dimethylphenyl)-1,2-dimethyl-5-phenylpyrazol-2-ium
CID 157416803
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944316
2-deuterio-1-methyl-6-(2-methylphenyl)-3,4-bis(trideuteriomethyl)pyridin-1-ium
CID 153464912
1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 169055448
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314
1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944401
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
5-ethyl-1-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium
CID 164823798
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium?
The IUPAC name of 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium (CID 157199788) is 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium.
What is the SMILES notation for 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium?
The canonical SMILES for 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium is Cc1ccccc1-c1cc(-c2ccccc2C)[n+](C)n1C.
What is the InChIKey of 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium?
The InChIKey is JKOMTBFRNBPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2/c1-14-9-5-7-11-16(14)18-13-19(21(4)20(18)3)17-12-8-6-10-15(17)2/h5-13H,1-4H3/q+1.
What are the key properties of 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium?
1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium has a molecular weight of 277.39 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium is sourced from PubChem (CID 157199788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).