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

C9H12FN3O3S — CID 168714900

IUPAC5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cn[nH]c1
InChIInChI=1S/C9H12FN3O3S/c10-17(15,16)8-3-9(14)13(6-8)2-1-7-4-11-12-5-7/h4-5,8H,1-3,6H2,(H,11,12)
InChIKeyBCKTZUQUJZTUIU-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.15
Rot. Bonds4

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

5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168714900) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168714900
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cn[nH]c1
InChIInChI=1S/C9H12FN3O3S/c10-17(15,16)8-3-9(14)13(6-8)2-1-7-4-11-12-5-7/h4-5,8H,1-3,6H2,(H,11,12)
InChIKeyBCKTZUQUJZTUIU-UHFFFAOYSA-N
XLogP-0.15
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676497
[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676633
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
1,1-dioxo-N-[1-(1H-pyrazol-4-yl)ethyl]thiolane-3-carboxamide
CID 103856435
2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856613
4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 168657247
S-[[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methyl] ethanethioate
CID 168667659
1-[2-(1H-pyrazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670988
1-(1H-pyrazol-4-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671124
[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681984
[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682120

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (CID 168714900) is 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1cn[nH]c1.
What is the InChIKey of 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is BCKTZUQUJZTUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c10-17(15,16)8-3-9(14)13(6-8)2-1-7-4-11-12-5-7/h4-5,8H,1-3,6H2,(H,11,12).
What are the key properties of 5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride has a molecular weight of 261.28 g/mol, XLogP of -0.15, 4 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]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).