1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole

C13H16N2O3S — CID 847006

IUPAC1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-18-12-5-7-13(8-6-12)19(16,17)15-11(3)9-10(2)14-15/h5-9H,4H2,1-3H3
InChIKeyUJZJGGMBRSTTDS-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 847006) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID847006
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-18-12-5-7-13(8-6-12)19(16,17)15-11(3)9-10(2)14-15/h5-9H,4H2,1-3H3
InChIKeyUJZJGGMBRSTTDS-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-(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
1-(3,4-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 769966
1-(4-Chloro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 649074
1-(2,5-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 685835
5-(1-phenoxyethyl)-1-(phenylsulfonyl)-1H-pyrazole
CID 3799501
4-{[1-(4-ethoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16300270
1-(4-Ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085564
1-{[1-(4-methoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane
CID 16029709
1-((1-((4-ethoxyphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 16029763
1-{[1-(4-butoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane
CID 16029771
1-((2-methoxy-5-methylphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole
CID 839455

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole (CID 847006) is 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole is CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is UJZJGGMBRSTTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-18-12-5-7-13(8-6-12)19(16,17)15-11(3)9-10(2)14-15/h5-9H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole 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-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 847006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).