[1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H16FN3O3S — CID 168676083

IUPAC[1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1c(CN2CC(CS(=O)(=O)F)CC2=O)cnn1C
InChIInChI=1S/C11H16FN3O3S/c1-8-10(4-13-14(8)2)6-15-5-9(3-11(15)16)7-19(12,17)18/h4,9H,3,5-7H2,1-2H3
InChIKeyOQJBXKDLBPMYPD-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.38
Rot. Bonds4

About [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676083) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676083
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1c(CN2CC(CS(=O)(=O)F)CC2=O)cnn1C
InChIInChI=1S/C11H16FN3O3S/c1-8-10(4-13-14(8)2)6-15-5-9(3-11(15)16)7-19(12,17)18/h4,9H,3,5-7H2,1-2H3
InChIKeyOQJBXKDLBPMYPD-UHFFFAOYSA-N
XLogP0.38
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-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 [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676083) is [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1c(CN2CC(CS(=O)(=O)F)CC2=O)cnn1C.
What is the InChIKey of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is OQJBXKDLBPMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8-10(4-13-14(8)2)6-15-5-9(3-11(15)16)7-19(12,17)18/h4,9H,3,5-7H2,1-2H3.
What are the key properties of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).