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

C13H16N2O4S — CID 769966

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C13H16N2O4S/c1-9-7-10(2)15(14-9)20(16,17)11-5-6-12(18-3)13(8-11)19-4/h5-8H,1-4H3
InChIKeyUMDJBYSQZISICH-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.75
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 769966) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID769966
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C13H16N2O4S/c1-9-7-10(2)15(14-9)20(16,17)11-5-6-12(18-3)13(8-11)19-4/h5-8H,1-4H3
InChIKeyUMDJBYSQZISICH-UHFFFAOYSA-N
XLogP1.75
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977005
1-(2,5-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 685835
1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 847006
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-(3,4-dimethoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine
CID 16029731
4-[(3,5-Dimethylpyrazolyl)sulfonyl]-2-ethoxy-1-fluorobenzene
CID 935529
1-{[1-(3,4-dimethoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane
CID 16029729
1-{[1-(4-methoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine
CID 16029711
1-[(4-methoxyphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 871651
1-(3,4-Dimethoxyphenyl)sulfonylpyrazole
CID 778403
3,4-dimethoxy-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3855267

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole (CID 769966) is 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole is COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is UMDJBYSQZISICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9-7-10(2)15(14-9)20(16,17)11-5-6-12(18-3)13(8-11)19-4/h5-8H,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 296.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 769966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).