3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole

C13H16N2O2S — CID 976679

IUPAC3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)c(S(=O)(=O)n2ccc(C)n2)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-9-7-10(2)13(11(3)8-9)18(16,17)15-6-5-12(4)14-15/h5-8H,1-4H3
InChIKeyZSYUJWMRZVZQIB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole

3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole (PubChem CID 976679) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
PubChem CID976679
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)c(S(=O)(=O)n2ccc(C)n2)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-9-7-10(2)13(11(3)8-9)18(16,17)15-6-5-12(4)14-15/h5-8H,1-4H3
InChIKeyZSYUJWMRZVZQIB-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

Analyze 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole?
The IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole (CID 976679) is 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole?
The canonical SMILES for 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole is Cc1cc(C)c(S(=O)(=O)n2ccc(C)n2)c(C)c1.
What is the InChIKey of 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole?
The InChIKey is ZSYUJWMRZVZQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-7-10(2)13(11(3)8-9)18(16,17)15-6-5-12(4)14-15/h5-8H,1-4H3.
What are the key properties of 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole?
3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole 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 3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 976679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).