5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole

C15H18N2O2S — CID 174286557

IUPAC5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole
SMILESCC(=Cc1ccc(C)cc1C)CS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C15H18N2O2S/c1-11-4-5-14(13(3)8-11)9-12(2)10-20(18,19)15-6-7-16-17-15/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyHBUAQDDDYMZVMX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.90
Rot. Bonds4

About 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole

5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole (PubChem CID 174286557) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole
PubChem CID174286557
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole
SMILESCC(=Cc1ccc(C)cc1C)CS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C15H18N2O2S/c1-11-4-5-14(13(3)8-11)9-12(2)10-20(18,19)15-6-7-16-17-15/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyHBUAQDDDYMZVMX-UHFFFAOYSA-N
XLogP2.90
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-phenyl-1H-pyrazol-5-yl)sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 56640852
2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 56640977
Tosylpyrazole
CID 67152748
5-(benzenesulfonyl)-1H-pyrazole
CID 15880398
[3-[2-fluoro-3-(1H-pyrazol-5-ylsulfonyl)prop-1-enyl]phenyl]methanamine
CID 174313094
5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
CID 174313100
5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-4-fluoro-1H-pyrazole
CID 174313541
4-fluoro-5-[2-fluoro-3-(2-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174313543
4-fluoro-5-[3-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174314572
5-[2-[(2-ethylphenyl)methylidene]butylsulfonyl]-4-fluoro-1H-pyrazole
CID 174315594
5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174327215
5-[2-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
CID 174327219

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole?
The IUPAC name of 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole (CID 174286557) is 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole?
The canonical SMILES for 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole is CC(=Cc1ccc(C)cc1C)CS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole?
The InChIKey is HBUAQDDDYMZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-4-5-14(13(3)8-11)9-12(2)10-20(18,19)15-6-7-16-17-15/h4-9H,10H2,1-3H3,(H,16,17).
What are the key properties of 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole?
5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole has a molecular weight of 290.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 174286557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).