[1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H12FN3O3S — CID 168676314

IUPAC[1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1nccc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H12FN3O3S/c1-12-8(2-3-11-12)13-5-7(4-9(13)14)6-17(10,15)16/h2-3,7H,4-6H2,1H3
InChIKeySQFGISPODPVNMY-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.07
Rot. Bonds3

About [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676314) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676314
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name[1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1nccc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H12FN3O3S/c1-12-8(2-3-11-12)13-5-7(4-9(13)14)6-17(10,15)16/h2-3,7H,4-6H2,1H3
InChIKeySQFGISPODPVNMY-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-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676314) is [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cn1nccc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is SQFGISPODPVNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-12-8(2-3-11-12)13-5-7(4-9(13)14)6-17(10,15)16/h2-3,7H,4-6H2,1H3.
What are the key properties of [1-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).