1-(4-phenoxyphenyl)pyrazolidin-3-one

C15H14N2O2 — CID 131842540

IUPAC1-(4-phenoxyphenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2ccc(Oc3ccccc3)cc2)N1
InChIInChI=1S/C15H14N2O2/c18-15-10-11-17(16-15)12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,18)
InChIKeyVFDQQCUTZZJXDW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.72
Rot. Bonds3

About 1-(4-phenoxyphenyl)pyrazolidin-3-one

1-(4-phenoxyphenyl)pyrazolidin-3-one (PubChem CID 131842540) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)pyrazolidin-3-one
PubChem CID131842540
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(4-phenoxyphenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2ccc(Oc3ccccc3)cc2)N1
InChIInChI=1S/C15H14N2O2/c18-15-10-11-17(16-15)12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,18)
InChIKeyVFDQQCUTZZJXDW-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dipotassium;1-phenylpyrazolidin-3-one;sulfite
CID 70251509
1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one
CID 117295796
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
1-(4-phenoxyphenyl)piperazine
CID 3017356
3-bromo-1-(4-phenoxyphenyl)pyrrolidin-2-one
CID 63788916
1-[3-(3-oxopyrazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117404697
1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione
CID 146597366
1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione
CID 162507506
1-[3-(4-fluorophenoxy)phenyl]-1,3-diazinane-2,4-dione
CID 162507635
1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
CID 117315868
6-ethyl-1-(4-phenoxyphenyl)-1,3-diazinane-2,4-dione
CID 149162477
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)pyrazolidin-3-one?
The IUPAC name of 1-(4-phenoxyphenyl)pyrazolidin-3-one (CID 131842540) is 1-(4-phenoxyphenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(4-phenoxyphenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(4-phenoxyphenyl)pyrazolidin-3-one is O=C1CCN(c2ccc(Oc3ccccc3)cc2)N1.
What is the InChIKey of 1-(4-phenoxyphenyl)pyrazolidin-3-one?
The InChIKey is VFDQQCUTZZJXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15-10-11-17(16-15)12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,18).
What are the key properties of 1-(4-phenoxyphenyl)pyrazolidin-3-one?
1-(4-phenoxyphenyl)pyrazolidin-3-one has a molecular weight of 254.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)pyrazolidin-3-one is sourced from PubChem (CID 131842540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).