4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione

C24H20N2O4 — CID 23456917

IUPAC4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C(CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1O
InChIInChI=1S/C24H20N2O4/c27-21-14-8-7-13-19(21)22(28)16-15-20-23(29)25(17-9-3-1-4-10-17)26(24(20)30)18-11-5-2-6-12-18/h1-14,20,27H,15-16H2
InChIKeyUETSUVWFHZZEON-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.97
Rot. Bonds6

About 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione

4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 23456917) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID23456917
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C(CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1O
InChIInChI=1S/C24H20N2O4/c27-21-14-8-7-13-19(21)22(28)16-15-20-23(29)25(17-9-3-1-4-10-17)26(24(20)30)18-11-5-2-6-12-18/h1-14,20,27H,15-16H2
InChIKeyUETSUVWFHZZEON-UHFFFAOYSA-N
XLogP3.97
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.97
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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Related Compounds

Benzoic acid, 2-hydroxy-, compd. with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)
CID 101738
3,5-Pyrazolidinedione, 4-(3-allylsalicylidene)-1,2-diphenyl-
CID 3087374
2-Hydroxy-N,N-diphenylbenzamide
CID 12324761
3,5-Pyrazolidinedione, 1-(4-hydroxyphenyl)-2-phenyl-4-phenylacetyl-
CID 171383867
2-[4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]-N-phenylacetamide
CID 155812175
4-(2,5-Dihydroxyphenacyl)-2-(p-tolyl)pyrazolidine-3,5-dione
CID 129820906
4-(2,5-Dihydroxyphenacyl)-2-phenylpyrazolidine-3,5-dione
CID 129820948
N-(3-acetyl-2-oxoquinolin-1-yl)-2-hydroxybenzamide
CID 166442160
2-[4-[3-(2-hydroxyphenyl)-3-oxopropyl]phenyl]-N-phenylacetamide
CID 155814989
N-(2-Hydroxybenzoyl)-N-phenylbenzamide
CID 570406
4-(2-Hydroxybenzylidene)-1,2-diphenyl-3,5-pyrazolidinedione
CID 251096
2-hydroxy-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 15860609

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione (CID 23456917) is 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione is O=C(CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1O.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is UETSUVWFHZZEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-21-14-8-7-13-19(21)22(28)16-15-20-23(29)25(17-9-3-1-4-10-17)26(24(20)30)18-11-5-2-6-12-18/h1-14,20,27H,15-16H2.
What are the key properties of 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione?
4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 400.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 23456917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).