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

C8H12F2N2O2S — CID 66013952

IUPAC3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole
SMILESCCS(=O)(=O)CCn1ccc(C(F)F)n1
InChIInChI=1S/C8H12F2N2O2S/c1-2-15(13,14)6-5-12-4-3-7(11-12)8(9)10/h3-4,8H,2,5-6H2,1H3
InChIKeyLLLJVLJHGYLAJV-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.26
Rot. Bonds5

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

3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole (PubChem CID 66013952) has the molecular formula C8H12F2N2O2S and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole
PubChem CID66013952
Molecular FormulaC8H12F2N2O2S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole
SMILESCCS(=O)(=O)CCn1ccc(C(F)F)n1
InChIInChI=1S/C8H12F2N2O2S/c1-2-15(13,14)6-5-12-4-3-7(11-12)8(9)10/h3-4,8H,2,5-6H2,1H3
InChIKeyLLLJVLJHGYLAJV-UHFFFAOYSA-N
XLogP1.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.26
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-ethylsulfonylethyl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole (CID 66013952) is 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole is CCS(=O)(=O)CCn1ccc(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole?
The InChIKey is LLLJVLJHGYLAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2S/c1-2-15(13,14)6-5-12-4-3-7(11-12)8(9)10/h3-4,8H,2,5-6H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole?
3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole has a molecular weight of 238.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(2-ethylsulfonylethyl)pyrazole is sourced from PubChem (CID 66013952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).