1-(2-bromophenyl)pyrazolidin-3-one

C9H9BrN2O — CID 767599

IUPAC1-(2-bromophenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2ccccc2Br)N1
InChIInChI=1S/C9H9BrN2O/c10-7-3-1-2-4-8(7)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13)
InChIKeyMXKAGOIHVQXXQL-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.69
Rot. Bonds1

About 1-(2-bromophenyl)pyrazolidin-3-one

1-(2-bromophenyl)pyrazolidin-3-one (PubChem CID 767599) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 1-(2-bromophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(2-bromophenyl)pyrazolidin-3-one
PubChem CID767599
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name1-(2-bromophenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2ccccc2Br)N1
InChIInChI=1S/C9H9BrN2O/c10-7-3-1-2-4-8(7)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13)
InChIKeyMXKAGOIHVQXXQL-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)pyrazolidin-3-one?
The IUPAC name of 1-(2-bromophenyl)pyrazolidin-3-one (CID 767599) is 1-(2-bromophenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(2-bromophenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(2-bromophenyl)pyrazolidin-3-one is O=C1CCN(c2ccccc2Br)N1.
What is the InChIKey of 1-(2-bromophenyl)pyrazolidin-3-one?
The InChIKey is MXKAGOIHVQXXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-3-1-2-4-8(7)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13).
What are the key properties of 1-(2-bromophenyl)pyrazolidin-3-one?
1-(2-bromophenyl)pyrazolidin-3-one has a molecular weight of 241.09 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)pyrazolidin-3-one is sourced from PubChem (CID 767599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).