5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole

C13H14FN3O2S — CID 110256896

IUPAC5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C13H14FN3O2S/c14-10-3-5-11(6-4-10)20(18,19)17-9-1-2-13(17)12-7-8-15-16-12/h3-8,13H,1-2,9H2,(H,15,16)
InChIKeyZXWUMWXQLRHARC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.07
Rot. Bonds3

About 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole

5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole (PubChem CID 110256896) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole
PubChem CID110256896
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C13H14FN3O2S/c14-10-3-5-11(6-4-10)20(18,19)17-9-1-2-13(17)12-7-8-15-16-12/h3-8,13H,1-2,9H2,(H,15,16)
InChIKeyZXWUMWXQLRHARC-UHFFFAOYSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole (CID 110256896) is 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole is O=S(=O)(c1ccc(F)cc1)N1CCCC1c1ccn[nH]1.
What is the InChIKey of 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is ZXWUMWXQLRHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-10-3-5-11(6-4-10)20(18,19)17-9-1-2-13(17)12-7-8-15-16-12/h3-8,13H,1-2,9H2,(H,15,16).
What are the key properties of 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole?
5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 295.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 110256896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).