3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole

C14H18N2O2S — CID 802226

IUPAC3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2C)n1
InChIInChI=1S/C14H18N2O2S/c1-9-6-7-14(13(5)12(9)4)19(17,18)16-11(3)8-10(2)15-16/h6-8H,1-5H3
InChIKeyMNBURZVTYWTTMT-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.66
Rot. Bonds2

About 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole

3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole (PubChem CID 802226) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole
PubChem CID802226
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2C)n1
InChIInChI=1S/C14H18N2O2S/c1-9-6-7-14(13(5)12(9)4)19(17,18)16-11(3)8-10(2)15-16/h6-8H,1-5H3
InChIKeyMNBURZVTYWTTMT-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole (CID 802226) is 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2C)n1.
What is the InChIKey of 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole?
The InChIKey is MNBURZVTYWTTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-6-7-14(13(5)12(9)4)19(17,18)16-11(3)8-10(2)15-16/h6-8H,1-5H3.
What are the key properties of 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole?
3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole has a molecular weight of 278.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 802226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).