3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole

C17H10F6N2O2S — CID 22746356

IUPAC3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-n2nc(C(F)F)cc2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(20)5-11(6-13(16)21)25-15(7-14(24-25)17(22)23)8-2-9(18)4-10(19)3-8/h2-7,17H,1H3
InChIKeyIYUSEOXUXBWTEG-UHFFFAOYSA-N
MW420.33 g/mol
LogP4.44
Rot. Bonds4

About 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole

3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole (PubChem CID 22746356) has the molecular formula C17H10F6N2O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole
PubChem CID22746356
Molecular FormulaC17H10F6N2O2S
Molecular Weight420.33 g/mol
Exact Mass420.04
IUPAC Name3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-n2nc(C(F)F)cc2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(20)5-11(6-13(16)21)25-15(7-14(24-25)17(22)23)8-2-9(18)4-10(19)3-8/h2-7,17H,1H3
InChIKeyIYUSEOXUXBWTEG-UHFFFAOYSA-N
XLogP4.44
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole
CID 10112843
3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,4-dimethylphenyl)pyrazole
CID 22745907
1-(3-bromo-4-methylphenyl)-3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)pyrazole
CID 22745597
5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazole
CID 22746746
4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
CID 22745685
4-[1-(3,5-dibromophenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
CID 22745991
4-[3-(difluoromethyl)-1-(3,4-difluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
CID 22745434
3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 18355439
4-[1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
CID 22746209
3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluoro-4-methylphenyl)pyrazole
CID 22745819
3-(difluoromethyl)-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 67736071
2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 18624104

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole (CID 22746356) is 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole is CS(=O)(=O)c1c(F)cc(-n2nc(C(F)F)cc2-c2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole?
The InChIKey is IYUSEOXUXBWTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(20)5-11(6-13(16)21)25-15(7-14(24-25)17(22)23)8-2-9(18)4-10(19)3-8/h2-7,17H,1H3.
What are the key properties of 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole?
3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole has a molecular weight of 420.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,5-difluorophenyl)pyrazole is sourced from PubChem (CID 22746356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).