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

C17H10F6N2O2S — CID 10112843

IUPAC3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(F)F)nn2-c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(20)4-8(5-13(16)21)15-7-14(17(22)23)24-25(15)9-2-3-10(18)11(19)6-9/h2-7,17H,1H3
InChIKeyMULPKSPXQLWEPP-UHFFFAOYSA-N
MW420.33 g/mol
LogP4.44
Rot. Bonds4

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

3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole (PubChem CID 10112843) has the molecular formula C17H10F6N2O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole
PubChem CID10112843
Molecular FormulaC17H10F6N2O2S
Molecular Weight420.33 g/mol
Exact Mass420.04
IUPAC Name3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(F)F)nn2-c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(20)4-8(5-13(16)21)15-7-14(17(22)23)24-25(15)9-2-3-10(18)11(19)6-9/h2-7,17H,1H3
InChIKeyMULPKSPXQLWEPP-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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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole (CID 10112843) is 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole is CS(=O)(=O)c1c(F)cc(-c2cc(C(F)F)nn2-c2ccc(F)c(F)c2)cc1F.
What is the InChIKey of 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole?
The InChIKey is MULPKSPXQLWEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(20)4-8(5-13(16)21)15-7-14(17(22)23)24-25(15)9-2-3-10(18)11(19)6-9/h2-7,17H,1H3.
What are the key properties of 3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole?
3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-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)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole is sourced from PubChem (CID 10112843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).