5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

C21H15F3N2O3S — CID 15908389

IUPAC5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C21H15F3N2O3S/c1-30(27,28)17-10-8-16(9-11-17)26-18(13-20(25-26)21(22,23)24)14-4-6-15(7-5-14)19-3-2-12-29-19/h2-13H,1H3
InChIKeyPHXLXYBQDODLHD-UHFFFAOYSA-N
MW432.42 g/mol
LogP5.22
Rot. Bonds4

About 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 15908389) has the molecular formula C21H15F3N2O3S and a molecular weight of 432.42 g/mol. Its IUPAC name is 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID15908389
Molecular FormulaC21H15F3N2O3S
Molecular Weight432.42 g/mol
Exact Mass432.08
IUPAC Name5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C21H15F3N2O3S/c1-30(27,28)17-10-8-16(9-11-17)26-18(13-20(25-26)21(22,23)24)14-4-6-15(7-5-14)19-3-2-12-29-19/h2-13H,1H3
InChIKeyPHXLXYBQDODLHD-UHFFFAOYSA-N
XLogP5.22
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-1-(4-methanesulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole (15d)
CID 118855478
2-(Methylsulfonyl)-5-[3-(trifluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazole-1-yl]benzaldehyde
CID 44364438
5-(Furan-2-yl)-3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
CID 171354537
5-Furan-2-yl-1-(4-methanesulfonylphenyl)-3-trifluoromethyl-1h-pyrazole
CID 129885254
4-[5-[4-[6-(4-Methoxyphenyl)-6-oxohexyl]phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 154721114
N-(4-(furan-3-yl)benzyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 121020567
5-[3-Fluoro-4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 9846575
5-[5-[4-(Furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine
CID 10275481
5-[5-[4-(Furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine
CID 12114159
4-[5-[4-(Furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 15908394
2-[5-(1-Benzofuran-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17895780
4-[4-(Furan-2-yl)phenyl]-1-(3-methyl-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 17923354

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole (CID 15908389) is 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)cc2)cc1.
What is the InChIKey of 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is PHXLXYBQDODLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3S/c1-30(27,28)17-10-8-16(9-11-17)26-18(13-20(25-26)21(22,23)24)14-4-6-15(7-5-14)19-3-2-12-29-19/h2-13H,1H3.
What are the key properties of 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 432.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 15908389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).