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

C19H19KN2O2 — CID 71301141

IUPACpotassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
SMILESCCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.[K+]
InChIInChI=1S/C19H19N2O2.K/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
InChIKeyYKLHIBJIOPKLDB-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.05
Rot. Bonds5

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

potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione (PubChem CID 71301141) has the molecular formula C19H19KN2O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione.

Molecular Properties

Compound Namepotassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
PubChem CID71301141
Molecular FormulaC19H19KN2O2
Molecular Weight346.47 g/mol
Exact Mass346.11
IUPAC Namepotassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
SMILESCCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.[K+]
InChIInChI=1S/C19H19N2O2.K/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
InChIKeyYKLHIBJIOPKLDB-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 ≤ 500346.47
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
The IUPAC name of potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione (CID 71301141) is potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione.
What is the SMILES notation for potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
The canonical SMILES for potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione is CCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.[K+].
What is the InChIKey of potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
The InChIKey is YKLHIBJIOPKLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2.K/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 potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione?
potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione has a molecular weight of 346.47 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 potassium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione is sourced from PubChem (CID 71301141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).