[5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C11H16FN3O3S — CID 168675300

IUPAC[5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H16FN3O3S/c1-2-3-14-7-10(5-13-14)15-6-9(4-11(15)16)8-19(12,17)18/h5,7,9H,2-4,6,8H2,1H3
InChIKeyJKSPAFPVMFSXTE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.95
Rot. Bonds5

About [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675300) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675300
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name[5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H16FN3O3S/c1-2-3-14-7-10(5-13-14)15-6-9(4-11(15)16)8-19(12,17)18/h5,7,9H,2-4,6,8H2,1H3
InChIKeyJKSPAFPVMFSXTE-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675300) is [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is CCCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is JKSPAFPVMFSXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-2-3-14-7-10(5-13-14)15-6-9(4-11(15)16)8-19(12,17)18/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of [5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.33 g/mol, XLogP of 0.95, 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-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).