[5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C11H16FN3O3S — CID 168674737

IUPAC[5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(Cn1cccn1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FN3O3S/c1-9(6-14-4-2-3-13-14)15-7-10(5-11(15)16)8-19(12,17)18/h2-4,9-10H,5-8H2,1H3
InChIKeyHGDCZGMMEQCYBS-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.42
Rot. Bonds5

About [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674737) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674737
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name[5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(Cn1cccn1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FN3O3S/c1-9(6-14-4-2-3-13-14)15-7-10(5-11(15)16)8-19(12,17)18/h2-4,9-10H,5-8H2,1H3
InChIKeyHGDCZGMMEQCYBS-UHFFFAOYSA-N
XLogP0.42
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674737) is [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is CC(Cn1cccn1)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is HGDCZGMMEQCYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-9(6-14-4-2-3-13-14)15-7-10(5-11(15)16)8-19(12,17)18/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).