4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione

C20H20N2O2 — CID 3061267

IUPAC4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1C(CCC2CC2)C(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19-18(14-13-15-11-12-15)20(24)22(17-9-5-2-6-10-17)21(19)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2
InChIKeyXNOZBQYFHYVMGI-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.79
Rot. Bonds5

About 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione

4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 3061267) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID3061267
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1C(CCC2CC2)C(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19-18(14-13-15-11-12-15)20(24)22(17-9-5-2-6-10-17)21(19)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2
InChIKeyXNOZBQYFHYVMGI-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
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-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione (CID 3061267) is 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione is O=C1C(CCC2CC2)C(=O)N(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is XNOZBQYFHYVMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-18(14-13-15-11-12-15)20(24)22(17-9-5-2-6-10-17)21(19)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2.
What are the key properties of 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione?
4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 320.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 3061267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).