1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole

C15H20N2O2S — CID 19683528

IUPAC1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCC(C)c1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N2O2S/c1-5-11(2)14-6-8-15(9-7-14)20(18,19)17-13(4)10-12(3)16-17/h6-11H,5H2,1-4H3
InChIKeyOWNBJJLHVZWYAA-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 19683528) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID19683528
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCC(C)c1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N2O2S/c1-5-11(2)14-6-8-15(9-7-14)20(18,19)17-13(4)10-12(3)16-17/h6-11H,5H2,1-4H3
InChIKeyOWNBJJLHVZWYAA-UHFFFAOYSA-N
XLogP3.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 3655474
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
1-(4-chloro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 738644
1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 39730131
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
1-(4-butan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
CID 22200660
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole
CID 6459197
N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide
CID 70638199

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 19683528) is 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole is CCC(C)c1ccc(S(=O)(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is OWNBJJLHVZWYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-11(2)14-6-8-15(9-7-14)20(18,19)17-13(4)10-12(3)16-17/h6-11H,5H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 292.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 19683528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).