5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride

C15H16FN3O3S — CID 168713349

IUPAC5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C(Cn1cccn1)c1ccccc1
InChIInChI=1S/C15H16FN3O3S/c16-23(21,22)13-9-15(20)19(10-13)14(11-18-8-4-7-17-18)12-5-2-1-3-6-12/h1-8,13-14H,9-11H2
InChIKeyKHKDZBNMXKAXFQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.52
Rot. Bonds5

About 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713349) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168713349
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C(Cn1cccn1)c1ccccc1
InChIInChI=1S/C15H16FN3O3S/c16-23(21,22)13-9-15(20)19(10-13)14(11-18-8-4-7-17-18)12-5-2-1-3-6-12/h1-8,13-14H,9-11H2
InChIKeyKHKDZBNMXKAXFQ-UHFFFAOYSA-N
XLogP1.52
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride (CID 168713349) is 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1C(Cn1cccn1)c1ccccc1.
What is the InChIKey of 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is KHKDZBNMXKAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-23(21,22)13-9-15(20)19(10-13)14(11-18-8-4-7-17-18)12-5-2-1-3-6-12/h1-8,13-14H,9-11H2.
What are the key properties of 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 337.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).