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

C17H17N3O2 — CID 71334224

IUPAC4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESNCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H17N3O2/c18-12-11-15-16(21)19(13-7-3-1-4-8-13)20(17(15)22)14-9-5-2-6-10-14/h1-10,15H,11-12,18H2
InChIKeyWMGQLPKJZRBHPB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.95
Rot. Bonds4

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

4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 71334224) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID71334224
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESNCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H17N3O2/c18-12-11-15-16(21)19(13-7-3-1-4-8-13)20(17(15)22)14-9-5-2-6-10-14/h1-10,15H,11-12,18H2
InChIKeyWMGQLPKJZRBHPB-UHFFFAOYSA-N
XLogP1.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione (CID 71334224) is 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione is NCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is WMGQLPKJZRBHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-12-11-15-16(21)19(13-7-3-1-4-8-13)20(17(15)22)14-9-5-2-6-10-14/h1-10,15H,11-12,18H2.
What are the key properties of 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione?
4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 295.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 71334224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).