sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione

C19H19N2NaO2 — CID 46174103

IUPACsodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
SMILESCCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.[Na+]
InChIInChI=1S/C19H19N2O2.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;/q-1;+1
InChIKeyVYOUHDLOIRJOSW-UHFFFAOYSA-N
MW330.36 g/mol
LogP0.05
Rot. Bonds5

About sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione

sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione (PubChem CID 46174103) has the molecular formula C19H19N2NaO2 and a molecular weight of 330.36 g/mol. Its IUPAC name is sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione.

Molecular Properties

Compound Namesodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
PubChem CID46174103
Molecular FormulaC19H19N2NaO2
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Namesodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
SMILESCCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.[Na+]
InChIInChI=1S/C19H19N2O2.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;/q-1;+1
InChIKeyVYOUHDLOIRJOSW-UHFFFAOYSA-N
XLogP0.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
The IUPAC name of sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione (CID 46174103) is sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione.
What is the SMILES notation for sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
The canonical SMILES for sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione is CCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.[Na+].
What is the InChIKey of sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
The InChIKey is VYOUHDLOIRJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;/q-1;+1.
What are the key properties of sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione has a molecular weight of 330.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione is sourced from PubChem (CID 46174103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).