5-(fluoromethylsulfonyl)-1H-pyrazole

C4H5FN2O2S — CID 141076191

IUPAC5-(fluoromethylsulfonyl)-1H-pyrazole
SMILESO=S(=O)(CF)c1ccn[nH]1
InChIInChI=1S/C4H5FN2O2S/c5-3-10(8,9)4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyZKYFSGQUZONDIA-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.11
Rot. Bonds2

About 5-(fluoromethylsulfonyl)-1H-pyrazole

5-(fluoromethylsulfonyl)-1H-pyrazole (PubChem CID 141076191) has the molecular formula C4H5FN2O2S and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-(fluoromethylsulfonyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(fluoromethylsulfonyl)-1H-pyrazole
PubChem CID141076191
Molecular FormulaC4H5FN2O2S
Molecular Weight164.16 g/mol
Exact Mass164.01
IUPAC Name5-(fluoromethylsulfonyl)-1H-pyrazole
SMILESO=S(=O)(CF)c1ccn[nH]1
InChIInChI=1S/C4H5FN2O2S/c5-3-10(8,9)4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyZKYFSGQUZONDIA-UHFFFAOYSA-N
XLogP0.11
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethylsulfonyl)-1H-pyrazole?
The IUPAC name of 5-(fluoromethylsulfonyl)-1H-pyrazole (CID 141076191) is 5-(fluoromethylsulfonyl)-1H-pyrazole.
What is the SMILES notation for 5-(fluoromethylsulfonyl)-1H-pyrazole?
The canonical SMILES for 5-(fluoromethylsulfonyl)-1H-pyrazole is O=S(=O)(CF)c1ccn[nH]1.
What is the InChIKey of 5-(fluoromethylsulfonyl)-1H-pyrazole?
The InChIKey is ZKYFSGQUZONDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O2S/c5-3-10(8,9)4-1-2-6-7-4/h1-2H,3H2,(H,6,7).
What are the key properties of 5-(fluoromethylsulfonyl)-1H-pyrazole?
5-(fluoromethylsulfonyl)-1H-pyrazole has a molecular weight of 164.16 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethylsulfonyl)-1H-pyrazole is sourced from PubChem (CID 141076191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).