1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole

C13H16N2O3S — CID 2147482

IUPAC1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C
InChIInChI=1S/C13H16N2O3S/c1-4-18-13-6-5-12(9-10(13)2)19(16,17)15-8-7-11(3)14-15/h5-9H,4H2,1-3H3
InChIKeyFGKMSVVDDRBHME-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 2147482) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
PubChem CID2147482
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C
InChIInChI=1S/C13H16N2O3S/c1-4-18-13-6-5-12(9-10(13)2)19(16,17)15-8-7-11(3)14-15/h5-9H,4H2,1-3H3
InChIKeyFGKMSVVDDRBHME-UHFFFAOYSA-N
XLogP2.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-diethoxyphenyl)sulfonyl-3-methylpyrazole
CID 39026767
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 6464199
1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 25248891
1-(4-ethoxy-3-methylphenyl)sulfonylbenzimidazole
CID 2147477
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
3-methyl-1-[4-[4-(3-methylpyrazol-1-yl)sulfonylphenoxy]phenyl]sulfonylpyrazole
CID 138046155
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
4-ethoxy-3-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328472
1-(3-methyl-4-propoxyphenyl)sulfonylimidazole
CID 6472325
1-(2-butoxy-5-methylphenyl)sulfonyl-3-methylpyrazole
CID 136576345
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339376
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole (CID 2147482) is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole is CCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is FGKMSVVDDRBHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-18-13-6-5-12(9-10(13)2)19(16,17)15-8-7-11(3)14-15/h5-9H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 280.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 2147482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).