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

C23H31N3O4 — CID 109374152

IUPAC4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.OCCNCCO
InChIInChI=1S/C19H20N2O2.C4H11NO2/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;6-3-1-5-2-4-7/h4-13,17H,2-3,14H2,1H3;5-7H,1-4H2
InChIKeyRZQGMINQPCEZCE-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.35
Rot. Bonds9

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

4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol (PubChem CID 109374152) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol
PubChem CID109374152
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.OCCNCCO
InChIInChI=1S/C19H20N2O2.C4H11NO2/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;6-3-1-5-2-4-7/h4-13,17H,2-3,14H2,1H3;5-7H,1-4H2
InChIKeyRZQGMINQPCEZCE-UHFFFAOYSA-N
XLogP2.35
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylbutazone
CID 4781
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, compd. with piperazine (1:1)
CID 78682
Phenylbutazone sodium
CID 46174103
3H-Pyrazol-3-one, 1,2-dihydro-1-(2-hydroxy-3-(propylamino)propyl)-5-methyl-4-(1-oxo-3-phenylpropyl)-2-phenyl-
CID 154172
1-(3-tert-Butylamino-2-hydroxy-propyl)-5-methyl-2-phenyl-4-(3-phenyl-propionyl)-1,2-dihydro-pyrazol-3-one
CID 10550864
1-(3-Butylamino-2-hydroxy-propyl)-5-methyl-2-phenyl-4-(3-phenyl-propionyl)-1,2-dihydro-pyrazol-3-one
CID 10812799
3,5-Pyrazolidinedione, 1,2-diphenyl-4-propyl-
CID 201492
4-Benzoyl-1-(2-hydroxy-3-propylamino-propyl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
CID 10620592
1-(2-Hydroxy-3-isopropylamino-propyl)-5-methyl-2-phenyl-4-(3-phenyl-propionyl)-1,2-dihydro-pyrazol-3-one
CID 11796456
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, compd. with 2-(dimethylamino)ethanol
CID 3051928
Butazolidine alka
CID 6367088
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, compd. with 2-(diethylamino)ethanol
CID 24844222

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol (CID 109374152) is 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol is CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.OCCNCCO.
What is the InChIKey of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol?
The InChIKey is RZQGMINQPCEZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.C4H11NO2/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;6-3-1-5-2-4-7/h4-13,17H,2-3,14H2,1H3;5-7H,1-4H2.
What are the key properties of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol?
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol has a molecular weight of 413.52 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 109374152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).