4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one

C9H8BrClN2O — CID 140764047

IUPAC4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one
SMILESO=C1NN(c2ccc(Cl)cc2)CC1Br
InChIInChI=1S/C9H8BrClN2O/c10-8-5-13(12-9(8)14)7-3-1-6(11)2-4-7/h1-4,8H,5H2,(H,12,14)
InChIKeyCZCDYKHSVDNZJK-UHFFFAOYSA-N
MW275.53 g/mol
LogP1.95
Rot. Bonds1

About 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one

4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one (PubChem CID 140764047) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one
PubChem CID140764047
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one
SMILESO=C1NN(c2ccc(Cl)cc2)CC1Br
InChIInChI=1S/C9H8BrClN2O/c10-8-5-13(12-9(8)14)7-3-1-6(11)2-4-7/h1-4,8H,5H2,(H,12,14)
InChIKeyCZCDYKHSVDNZJK-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-phenylpyrazolidin-3-one
CID 22417558
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
1-(4-chlorophenyl)-1,2,4-triazolidine
CID 22123541
1,3,5-tris(4-chlorophenyl)tetrazinane
CID 173003387
(1S,2R,6R,7S,8S,9R)-8,9-dibromo-4-(4-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119772
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7131673
1-(4-chlorophenyl)-3,5-dimethylpiperazine
CID 22633049
4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 5305598
2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 70255870
3-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 141369304
(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
CID 125478721

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one?
The IUPAC name of 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one (CID 140764047) is 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one?
The canonical SMILES for 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one is O=C1NN(c2ccc(Cl)cc2)CC1Br.
What is the InChIKey of 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one?
The InChIKey is CZCDYKHSVDNZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c10-8-5-13(12-9(8)14)7-3-1-6(11)2-4-7/h1-4,8H,5H2,(H,12,14).
What are the key properties of 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one?
4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one has a molecular weight of 275.53 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-chlorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 140764047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).