1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole

C14H18N2O3S — CID 6499744

IUPAC1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1OC
InChIInChI=1S/C14H18N2O3S/c1-5-12-9-13(6-7-14(12)19-4)20(17,18)16-11(3)8-10(2)15-16/h6-9H,5H2,1-4H3
InChIKeyUFBYPRIXYZGVJE-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole

1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 6499744) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID6499744
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1OC
InChIInChI=1S/C14H18N2O3S/c1-5-12-9-13(6-7-14(12)19-4)20(17,18)16-11(3)8-10(2)15-16/h6-9H,5H2,1-4H3
InChIKeyUFBYPRIXYZGVJE-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (CID 6499744) is 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is CCc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is UFBYPRIXYZGVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-12-9-13(6-7-14(12)19-4)20(17,18)16-11(3)8-10(2)15-16/h6-9H,5H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 294.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 6499744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).