1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione

C23H18N2O4 — CID 171383867

IUPAC1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione
SMILESO=C(Cc1ccccc1)C1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C23H18N2O4/c26-19-13-11-18(12-14-19)25-23(29)21(20(27)15-16-7-3-1-4-8-16)22(28)24(25)17-9-5-2-6-10-17/h1-14,21,26H,15H2
InChIKeyORNJFDIYRHMHAL-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione

1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione (PubChem CID 171383867) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione
PubChem CID171383867
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione
SMILESO=C(Cc1ccccc1)C1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C23H18N2O4/c26-19-13-11-18(12-14-19)25-23(29)21(20(27)15-16-7-3-1-4-8-16)22(28)24(25)17-9-5-2-6-10-17/h1-14,21,26H,15H2
InChIKeyORNJFDIYRHMHAL-UHFFFAOYSA-N
XLogP3.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.12
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

Oxazolidin
CID 4641
Oxyphenbutazone, (S)-
CID 448033
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
Butyranilide, 4'-hydroxy-2-phenyl-
CID 17708
3,5-Pyrazolidinedione, 4-(3-allylsalicylidene)-1,2-diphenyl-
CID 3087374
Oxyphenbutazone monohydrate
CID 104811
1-(4-Hydroxyphenyl)-2-phenyl-4-(propan-2-yl)pyrazolidine-3,5-dione
CID 26936
(1S,6S)-N-(4-hydroxyphenyl)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carboxamide
CID 156011777
(1R,6R)-N-(4-hydroxyphenyl)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carboxamide
CID 156017731
4-(3-Hydroxybutyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
CID 71403338
Cambridge id 7057450
CID 2925247
N-(4-hydroxy-phenyl)-2-phenyl-N-phenylacetyl-acetamide
CID 138708358

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione (CID 171383867) is 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione is O=C(Cc1ccccc1)C1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione?
The InChIKey is ORNJFDIYRHMHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-19-13-11-18(12-14-19)25-23(29)21(20(27)15-16-7-3-1-4-8-16)22(28)24(25)17-9-5-2-6-10-17/h1-14,21,26H,15H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione?
1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione has a molecular weight of 386.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylacetyl)pyrazolidine-3,5-dione is sourced from PubChem (CID 171383867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).