3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole

C7H10F2N2O2S — CID 118464148

IUPAC3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole
SMILESCCc1cc(S(=O)(=O)C(F)F)nn1C
InChIInChI=1S/C7H10F2N2O2S/c1-3-5-4-6(10-11(5)2)14(12,13)7(8)9/h4,7H,3H2,1-2H3
InChIKeyOZYCIDKEZDBXBO-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.98
Rot. Bonds3

About 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole

3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole (PubChem CID 118464148) has the molecular formula C7H10F2N2O2S and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole
PubChem CID118464148
Molecular FormulaC7H10F2N2O2S
Molecular Weight224.23 g/mol
Exact Mass224.04
IUPAC Name3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole
SMILESCCc1cc(S(=O)(=O)C(F)F)nn1C
InChIInChI=1S/C7H10F2N2O2S/c1-3-5-4-6(10-11(5)2)14(12,13)7(8)9/h4,7H,3H2,1-2H3
InChIKeyOZYCIDKEZDBXBO-UHFFFAOYSA-N
XLogP0.98
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-5-methanesulfonyl-3-(trifluoromethyl)pyrazole
CID 59356394
5-Methanesulfonyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 59356398
1-Methyl-5-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrazole
CID 91084070
5-Tert-butyl-3-(difluoromethylsulfonyl)-1-methylpyrazole
CID 118445006
3-(Difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
CID 129092914
1-(2-Methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 130210325
5-[1-(Dimethylamino)-2,2,2-trifluoroethyl]-1-methylpyrazole-3-sulfonamide
CID 137512403
(4R,6S)-2-(difluoromethylsulfonyl)-4-fluoro-6-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 138605523
3-(Difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole
CID 138712191
5-Ethyl-1-methyl-3-(trifluoromethylsulfanyl)pyrazole
CID 144946137
3-Ethyl-1-methyl-5-(trifluoromethylsulfanyl)pyrazole
CID 144946162
5-Methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole
CID 146428144

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole?
The IUPAC name of 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole (CID 118464148) is 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole?
The canonical SMILES for 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole is CCc1cc(S(=O)(=O)C(F)F)nn1C.
What is the InChIKey of 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole?
The InChIKey is OZYCIDKEZDBXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2S/c1-3-5-4-6(10-11(5)2)14(12,13)7(8)9/h4,7H,3H2,1-2H3.
What are the key properties of 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole?
3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole has a molecular weight of 224.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-5-ethyl-1-methylpyrazole is sourced from PubChem (CID 118464148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).