[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C14H16FN3O4S — CID 168676171

IUPAC[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1ccc(Cn2nccc2N2CC(CS(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C14H16FN3O4S/c1-10-2-3-12(22-10)8-18-13(4-5-16-18)17-7-11(6-14(17)19)9-23(15,20)21/h2-5,11H,6-9H2,1H3
InChIKeyTXKRCFPAORMIAQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.49
Rot. Bonds5

About [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676171) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676171
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1ccc(Cn2nccc2N2CC(CS(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C14H16FN3O4S/c1-10-2-3-12(22-10)8-18-13(4-5-16-18)17-7-11(6-14(17)19)9-23(15,20)21/h2-5,11H,6-9H2,1H3
InChIKeyTXKRCFPAORMIAQ-UHFFFAOYSA-N
XLogP1.49
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677741
4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one
CID 168501341
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917
[1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674485
[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide
CID 168683228
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[1-(6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676206
[1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672465
[1-(2-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676030
1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719472
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714573
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676171) is [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1ccc(Cn2nccc2N2CC(CS(=O)(=O)F)CC2=O)o1.
What is the InChIKey of [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is TXKRCFPAORMIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-10-2-3-12(22-10)8-18-13(4-5-16-18)17-7-11(6-14(17)19)9-23(15,20)21/h2-5,11H,6-9H2,1H3.
What are the key properties of [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 341.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).