1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

C11H9F3N2O2S — CID 23194714

IUPAC1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H9F3N2O2S/c1-19(17,18)9-4-2-8(3-5-9)16-7-6-10(15-16)11(12,13)14/h2-7H,1H3
InChIKeySLPWSQFJHBJGCL-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 23194714) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID23194714
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H9F3N2O2S/c1-19(17,18)9-4-2-8(3-5-9)16-7-6-10(15-16)11(12,13)14/h2-7H,1H3
InChIKeySLPWSQFJHBJGCL-UHFFFAOYSA-N
XLogP2.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole (CID 23194714) is 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole is CS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is SLPWSQFJHBJGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c1-19(17,18)9-4-2-8(3-5-9)16-7-6-10(15-16)11(12,13)14/h2-7H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 290.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 23194714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).