4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol

C25H35N3O3 — CID 24844222

IUPAC4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.CCN(CC)CCO
InChIInChI=1S/C19H20N2O2.C6H15NO/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-7(4-2)5-6-8/h4-13,17H,2-3,14H2,1H3;8H,3-6H2,1-2H3
InChIKeyNYEQSEAYIORWEN-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.11
Rot. Bonds9

About 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol

4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol (PubChem CID 24844222) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol.

Molecular Properties

Compound Name4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol
PubChem CID24844222
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.CCN(CC)CCO
InChIInChI=1S/C19H20N2O2.C6H15NO/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-7(4-2)5-6-8/h4-13,17H,2-3,14H2,1H3;8H,3-6H2,1-2H3
InChIKeyNYEQSEAYIORWEN-UHFFFAOYSA-N
XLogP4.11
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol?
The IUPAC name of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol (CID 24844222) is 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol.
What is the SMILES notation for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol?
The canonical SMILES for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol is CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.CCN(CC)CCO.
What is the InChIKey of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol?
The InChIKey is NYEQSEAYIORWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.C6H15NO/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-7(4-2)5-6-8/h4-13,17H,2-3,14H2,1H3;8H,3-6H2,1-2H3.
What are the key properties of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol?
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol has a molecular weight of 425.57 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(diethylamino)ethanol is sourced from PubChem (CID 24844222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).