5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride

C7H8FN3O3S — CID 168715868

IUPAC5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cn[nH]c1
InChIInChI=1S/C7H8FN3O3S/c8-15(13,14)6-1-7(12)11(4-6)5-2-9-10-3-5/h2-3,6H,1,4H2,(H,9,10)
InChIKeyNZUAFHRMKZSDSZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.19
Rot. Bonds2

About 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168715868) has the molecular formula C7H8FN3O3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168715868
Molecular FormulaC7H8FN3O3S
Molecular Weight233.22 g/mol
Exact Mass233.03
IUPAC Name5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cn[nH]c1
InChIInChI=1S/C7H8FN3O3S/c8-15(13,14)6-1-7(12)11(4-6)5-2-9-10-3-5/h2-3,6H,1,4H2,(H,9,10)
InChIKeyNZUAFHRMKZSDSZ-UHFFFAOYSA-N
XLogP-0.19
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-pyrazol-4-yl)-1-(3-sulfanylpropanoyl)pyrrolidine-3-carboxamide
CID 177681147
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
1-(1h-Pyrazol-4-yl)pyrrolidin-2-one
CID 134691297
[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
[1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677465
5-Oxo-1-(1-propylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168713704
1-(1-Ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713833
1-(1-Methylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714712
5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715036
1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715869
2-(1H-pyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 178534361

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride (CID 168715868) is 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cn[nH]c1.
What is the InChIKey of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is NZUAFHRMKZSDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3S/c8-15(13,14)6-1-7(12)11(4-6)5-2-9-10-3-5/h2-3,6H,1,4H2,(H,9,10).
What are the key properties of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 233.22 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).