1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole

C14H18N2O3S — CID 850119

IUPAC1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-13-7-6-10(2)8-14(13)20(17,18)16-12(4)9-11(3)15-16/h6-9H,5H2,1-4H3
InChIKeyYSSRVFOJPUQHMU-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 850119) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID850119
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-13-7-6-10(2)8-14(13)20(17,18)16-12(4)9-11(3)15-16/h6-9H,5H2,1-4H3
InChIKeyYSSRVFOJPUQHMU-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-(2-Ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850120
1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977005
6-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2H-chromen-2-one
CID 6484453
1-(2,5-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 685835
1-(4-Methoxy-2,3-dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977170
1-(4-Methoxy-3-methyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 1085563
1-[(2-ethoxy-5-methylphenyl)sulfonyl]-3-methyl-1H-pyrazole
CID 2235686
1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 847006
1-((2-methoxy-5-methylphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole
CID 839455
4-tert-butyl-2-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl ethyl ether
CID 850121
4-[(3,5-Dimethylpyrazolyl)sulfonyl]-2-ethoxy-1-fluorobenzene
CID 935529
1-{[2-Ethoxy-4-methyl-5-(methylethyl)phenyl]sulfonyl}-3-methylpyrazole
CID 2239703

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 850119) is 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole is CCOc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is YSSRVFOJPUQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-19-13-7-6-10(2)8-14(13)20(17,18)16-12(4)9-11(3)15-16/h6-9H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole 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-(2-ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 850119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).