4-benzyl-1-phenylpyrazolidine-3,5-dione

C16H14N2O2 — CID 3041630

IUPAC4-benzyl-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-14(11-12-7-3-1-4-8-12)16(20)18(17-15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,19)
InChIKeyWBCMDBXBMDROSN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.92
Rot. Bonds3

About 4-benzyl-1-phenylpyrazolidine-3,5-dione

4-benzyl-1-phenylpyrazolidine-3,5-dione (PubChem CID 3041630) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-benzyl-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-1-phenylpyrazolidine-3,5-dione
PubChem CID3041630
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-benzyl-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-14(11-12-7-3-1-4-8-12)16(20)18(17-15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,19)
InChIKeyWBCMDBXBMDROSN-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of 4-benzyl-1-phenylpyrazolidine-3,5-dione (CID 3041630) is 4-benzyl-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-1-phenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1-phenylpyrazolidine-3,5-dione?
The InChIKey is WBCMDBXBMDROSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-14(11-12-7-3-1-4-8-12)16(20)18(17-15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,19).
What are the key properties of 4-benzyl-1-phenylpyrazolidine-3,5-dione?
4-benzyl-1-phenylpyrazolidine-3,5-dione has a molecular weight of 266.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 3041630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).