4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole

C13H12F2N2O2S — CID 172909529

IUPAC4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole
SMILESC=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)CC)c1
InChIInChI=1S/C13H12F2N2O2S/c1-3-9-5-12(14)13(15)6-11(9)10-7-16-17(8-10)20(18,19)4-2/h3,5-8H,1,4H2,2H3
InChIKeyPYUVWYYODZJIOY-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.67
Rot. Bonds4

About 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole

4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole (PubChem CID 172909529) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole.

Molecular Properties

Compound Name4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole
PubChem CID172909529
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole
SMILESC=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)CC)c1
InChIInChI=1S/C13H12F2N2O2S/c1-3-9-5-12(14)13(15)6-11(9)10-7-16-17(8-10)20(18,19)4-2/h3,5-8H,1,4H2,2H3
InChIKeyPYUVWYYODZJIOY-UHFFFAOYSA-N
XLogP2.67
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole?
The IUPAC name of 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole (CID 172909529) is 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole.
What is the SMILES notation for 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole?
The canonical SMILES for 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole is C=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)CC)c1.
What is the InChIKey of 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole?
The InChIKey is PYUVWYYODZJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-3-9-5-12(14)13(15)6-11(9)10-7-16-17(8-10)20(18,19)4-2/h3,5-8H,1,4H2,2H3.
What are the key properties of 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole?
4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole has a molecular weight of 298.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenyl-4,5-difluorophenyl)-1-ethylsulfonylpyrazole is sourced from PubChem (CID 172909529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).