[1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C8H9ClFN3O3S — CID 168677465

IUPAC[1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cn[nH]c1Cl
InChIInChI=1S/C8H9ClFN3O3S/c9-8-6(2-11-12-8)13-3-5(1-7(13)14)4-17(10,15)16/h2,5H,1,3-4H2,(H,11,12)
InChIKeyKRZRIHPVAYJMAD-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.72
Rot. Bonds3

About [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677465) has the molecular formula C8H9ClFN3O3S and a molecular weight of 281.70 g/mol. Its IUPAC name is [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677465
Molecular FormulaC8H9ClFN3O3S
Molecular Weight281.70 g/mol
Exact Mass281.00
IUPAC Name[1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cn[nH]c1Cl
InChIInChI=1S/C8H9ClFN3O3S/c9-8-6(2-11-12-8)13-3-5(1-7(13)14)4-17(10,15)16/h2,5H,1,3-4H2,(H,11,12)
InChIKeyKRZRIHPVAYJMAD-UHFFFAOYSA-N
XLogP0.72
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677465) is [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1cn[nH]c1Cl.
What is the InChIKey of [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is KRZRIHPVAYJMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O3S/c9-8-6(2-11-12-8)13-3-5(1-7(13)14)4-17(10,15)16/h2,5H,1,3-4H2,(H,11,12).
What are the key properties of [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 281.70 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).