2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C7H8F2N2O2S — CID 142577331

IUPAC2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)CCC2)C(F)F
InChIInChI=1S/C7H8F2N2O2S/c8-7(9)14(12,13)6-4-5-2-1-3-11(5)10-6/h4,7H,1-3H2
InChIKeyVUAUDAUOSXIYLW-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.83
Rot. Bonds2

About 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 142577331) has the molecular formula C7H8F2N2O2S and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID142577331
Molecular FormulaC7H8F2N2O2S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC Name2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)CCC2)C(F)F
InChIInChI=1S/C7H8F2N2O2S/c8-7(9)14(12,13)6-4-5-2-1-3-11(5)10-6/h4,7H,1-3H2
InChIKeyVUAUDAUOSXIYLW-UHFFFAOYSA-N
XLogP0.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 142577331) is 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is O=S(=O)(c1cc2n(n1)CCC2)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is VUAUDAUOSXIYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2S/c8-7(9)14(12,13)6-4-5-2-1-3-11(5)10-6/h4,7H,1-3H2.
What are the key properties of 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 222.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 142577331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).