1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole

C14H18N2O3S — CID 6464199

IUPAC1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1cc(S(=O)(=O)n2ccc(C)n2)c(C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-13-9-14(11(3)8-10(13)2)20(17,18)16-7-6-12(4)15-16/h6-9H,5H2,1-4H3
InChIKeyAMMHVUWXBVCXEX-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.44
Rot. Bonds4

About 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole

1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 6464199) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole
PubChem CID6464199
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1cc(S(=O)(=O)n2ccc(C)n2)c(C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-13-9-14(11(3)8-10(13)2)20(17,18)16-7-6-12(4)15-16/h6-9H,5H2,1-4H3
InChIKeyAMMHVUWXBVCXEX-UHFFFAOYSA-N
XLogP2.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 2147482
1-(3,4-diethoxyphenyl)sulfonyl-3-methylpyrazole
CID 39026767
1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole
CID 91669949
1-(2-butoxy-5-methylphenyl)sulfonyl-3-methylpyrazole
CID 136576345
1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole
CID 138046156
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole
CID 6463565
3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
CID 976679
1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 25248891
ethyl 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116381
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
3-methyl-1-(2,3,4-trichlorophenyl)sulfonylpyrazole
CID 2988390

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole (CID 6464199) is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole is CCOc1cc(S(=O)(=O)n2ccc(C)n2)c(C)cc1C.
What is the InChIKey of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is AMMHVUWXBVCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-19-13-9-14(11(3)8-10(13)2)20(17,18)16-7-6-12(4)15-16/h6-9H,5H2,1-4H3.
What are the key properties of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 294.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 6464199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).