1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione

C15H12N4O2 — CID 564513

IUPAC1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1/N=N/c1ccccc1
InChIInChI=1S/C15H12N4O2/c20-14-13(17-16-11-7-3-1-4-8-11)15(21)19(18-14)12-9-5-2-6-10-12/h1-10,13H,(H,18,20)/b17-16+
InChIKeyAREJKMYFEFLNFL-WUKNDPDISA-N
MW280.29 g/mol
LogP2.22
Rot. Bonds3

About 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione

1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione (PubChem CID 564513) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione
PubChem CID564513
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1/N=N/c1ccccc1
InChIInChI=1S/C15H12N4O2/c20-14-13(17-16-11-7-3-1-4-8-11)15(21)19(18-14)12-9-5-2-6-10-12/h1-10,13H,(H,18,20)/b17-16+
InChIKeyAREJKMYFEFLNFL-WUKNDPDISA-N
XLogP2.22
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione?
The IUPAC name of 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione (CID 564513) is 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione?
The canonical SMILES for 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)C1/N=N/c1ccccc1.
What is the InChIKey of 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione?
The InChIKey is AREJKMYFEFLNFL-WUKNDPDISA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14-13(17-16-11-7-3-1-4-8-11)15(21)19(18-14)12-9-5-2-6-10-12/h1-10,13H,(H,18,20)/b17-16+.
What are the key properties of 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione?
1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione has a molecular weight of 280.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-phenyldiazenylpyrazolidine-3,5-dione is sourced from PubChem (CID 564513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).