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

C13H16N2O2S — CID 786057

IUPAC1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N2O2S/c1-9-5-6-13(7-10(9)2)18(16,17)15-12(4)8-11(3)14-15/h5-8H,1-4H3
InChIKeyCGOLPQHYJKIISU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.35
Rot. Bonds2

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

1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 786057) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID786057
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N2O2S/c1-9-5-6-13(7-10(9)2)18(16,17)15-12(4)8-11(3)14-15/h5-8H,1-4H3
InChIKeyCGOLPQHYJKIISU-UHFFFAOYSA-N
XLogP2.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 786057) is 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is CGOLPQHYJKIISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-5-6-13(7-10(9)2)18(16,17)15-12(4)8-11(3)14-15/h5-8H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 264.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 786057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).