3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

C17H20N4O3 — CID 24608276

IUPAC3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O
InChIInChI=1S/C17H20N4O3/c1-2-6-14-16(23)20(17(24)18-14)11-15(22)21-10-9-13(19-21)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3,(H,18,24)
InChIKeyNDAADLZVOKNOLQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.34
Rot. Bonds5

About 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 24608276) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID24608276
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O
InChIInChI=1S/C17H20N4O3/c1-2-6-14-16(23)20(17(24)18-14)11-15(22)21-10-9-13(19-21)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3,(H,18,24)
InChIKeyNDAADLZVOKNOLQ-UHFFFAOYSA-N
XLogP1.34
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (CID 24608276) is 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O.
What is the InChIKey of 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is NDAADLZVOKNOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-6-14-16(23)20(17(24)18-14)11-15(22)21-10-9-13(19-21)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3,(H,18,24).
What are the key properties of 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 24608276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).