[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H12FN3O3S — CID 168676308

IUPAC[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C9H12FN3O3S/c1-12-5-8(3-11-12)13-4-7(2-9(13)14)6-17(10,15)16/h3,5,7H,2,4,6H2,1H3
InChIKeyUFXPOQXFFDZECT-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.07
Rot. Bonds3

About [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676308) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676308
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C9H12FN3O3S/c1-12-5-8(3-11-12)13-4-7(2-9(13)14)6-17(10,15)16/h3,5,7H,2,4,6H2,1H3
InChIKeyUFXPOQXFFDZECT-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676308) is [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UFXPOQXFFDZECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-12-5-8(3-11-12)13-4-7(2-9(13)14)6-17(10,15)16/h3,5,7H,2,4,6H2,1H3.
What are the key properties of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 261.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).