[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride

C10H14FN3O3S — CID 168676497

IUPAC[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1cn[nH]c1
InChIInChI=1S/C10H14FN3O3S/c11-18(16,17)7-9-3-10(15)14(6-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13)
InChIKeyVGOXLJOJXBPAQD-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.10
Rot. Bonds5

About [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676497) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676497
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1cn[nH]c1
InChIInChI=1S/C10H14FN3O3S/c11-18(16,17)7-9-3-10(15)14(6-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13)
InChIKeyVGOXLJOJXBPAQD-UHFFFAOYSA-N
XLogP0.10
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isobutyl-N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 50973302
[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676633
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714900
5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715036
N-methyl-1,1-dioxo-N-(1H-pyrazol-4-ylmethyl)thiolane-3-carboxamide
CID 64046515
(3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 95213565
(3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 95213566
1,1-dioxo-N-[1-(1H-pyrazol-4-yl)ethyl]thiolane-3-carboxamide
CID 103856435
4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 168657247
4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 168660249
S-[[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methyl] ethanethioate
CID 168667659

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676497) is [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCc1cn[nH]c1.
What is the InChIKey of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is VGOXLJOJXBPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c11-18(16,17)7-9-3-10(15)14(6-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13).
What are the key properties of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 275.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).