3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole

C7H10F2N2O2S — CID 66016143

IUPAC3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole
SMILESCS(=O)(=O)CCn1ccc(C(F)F)n1
InChIInChI=1S/C7H10F2N2O2S/c1-14(12,13)5-4-11-3-2-6(10-11)7(8)9/h2-3,7H,4-5H2,1H3
InChIKeyXEZFXBYKFAOFCC-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.87
Rot. Bonds4

About 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole

3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole (PubChem CID 66016143) has the molecular formula C7H10F2N2O2S and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole
PubChem CID66016143
Molecular FormulaC7H10F2N2O2S
Molecular Weight224.23 g/mol
Exact Mass224.04
IUPAC Name3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole
SMILESCS(=O)(=O)CCn1ccc(C(F)F)n1
InChIInChI=1S/C7H10F2N2O2S/c1-14(12,13)5-4-11-3-2-6(10-11)7(8)9/h2-3,7H,4-5H2,1H3
InChIKeyXEZFXBYKFAOFCC-UHFFFAOYSA-N
XLogP0.87
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole (CID 66016143) is 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole is CS(=O)(=O)CCn1ccc(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole?
The InChIKey is XEZFXBYKFAOFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2S/c1-14(12,13)5-4-11-3-2-6(10-11)7(8)9/h2-3,7H,4-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole?
3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole has a molecular weight of 224.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole is sourced from PubChem (CID 66016143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).