5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole

C21H15F3N2O2S2 — CID 141164267

IUPAC5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3ccccc3C(F)(F)F)s2)c1
InChIInChI=1S/C21H15F3N2O2S2/c1-30(27,28)15-6-4-5-14(13-15)19-9-10-20(29-19)18-11-12-25-26(18)17-8-3-2-7-16(17)21(22,23)24/h2-13H,1H3
InChIKeyBQUZLQFVSGDZQX-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.69
Rot. Bonds4

About 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole

5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole (PubChem CID 141164267) has the molecular formula C21H15F3N2O2S2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
PubChem CID141164267
Molecular FormulaC21H15F3N2O2S2
Molecular Weight448.49 g/mol
Exact Mass448.05
IUPAC Name5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3ccccc3C(F)(F)F)s2)c1
InChIInChI=1S/C21H15F3N2O2S2/c1-30(27,28)15-6-4-5-14(13-15)19-9-10-20(29-19)18-11-12-25-26(18)17-8-3-2-7-16(17)21(22,23)24/h2-13H,1H3
InChIKeyBQUZLQFVSGDZQX-UHFFFAOYSA-N
XLogP5.69
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
CID 141164271
3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine
CID 141164262
1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656338
5-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-3-prop-1-en-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 69120821
3-[2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
CID 59633327
[5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanediol
CID 137483778
1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656654
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-(2,2,2-trifluoroethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 87532685
4-bromo-1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
CID 141164293
2-[4-bromo-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol
CID 59633279
5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole
CID 141164289
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole
CID 174549115

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole (CID 141164267) is 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole is CS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3ccccc3C(F)(F)F)s2)c1.
What is the InChIKey of 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is BQUZLQFVSGDZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2S2/c1-30(27,28)15-6-4-5-14(13-15)19-9-10-20(29-19)18-11-12-25-26(18)17-8-3-2-7-16(17)21(22,23)24/h2-13H,1H3.
What are the key properties of 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole?
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 448.49 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 141164267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).