1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole

C14H18N2O3S — CID 935385

IUPAC1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-14-7-6-13(8-10(14)2)20(17,18)16-12(4)9-11(3)15-16/h6-9H,5H2,1-4H3
InChIKeyCPKDYVMVSIVHRK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.44
Rot. Bonds4

About 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 935385) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID935385
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-14-7-6-13(8-10(14)2)20(17,18)16-12(4)9-11(3)15-16/h6-9H,5H2,1-4H3
InChIKeyCPKDYVMVSIVHRK-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 935385) is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole is CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is CPKDYVMVSIVHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-19-14-7-6-13(8-10(14)2)20(17,18)16-12(4)9-11(3)15-16/h6-9H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-ethoxy-3-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-(4-ethoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 935385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).