1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione

C18H18N2O3 — CID 26936

IUPAC1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione
SMILESCC(C)C1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12(2)16-17(22)19(13-6-4-3-5-7-13)20(18(16)23)14-8-10-15(21)11-9-14/h3-12,16,21H,1-2H3
InChIKeyFUJCEKJBRZNYBQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione

1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione (PubChem CID 26936) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione
PubChem CID26936
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione
SMILESCC(C)C1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12(2)16-17(22)19(13-6-4-3-5-7-13)20(18(16)23)14-8-10-15(21)11-9-14/h3-12,16,21H,1-2H3
InChIKeyFUJCEKJBRZNYBQ-UHFFFAOYSA-N
XLogP2.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.96
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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Related Compounds

Oxazolidin
CID 4641
Oxyphenbutazone, (S)-
CID 448033
Oxyphenbutazone monohydrate
CID 104811
4-Hydroxysulfinpyrazone
CID 161594
1-(4-Hydroxy-phenyl)-4-(2-methoxy-ethyl)-pyrazolidin-3-one
CID 14840395
4-Butyl-5-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-1H-pyrazol-3(2H)-one
CID 199014
3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-
CID 121428
1-(4-Hydroxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 217804
2-butyl-N,N'-bis(4-hydroxyphenyl)propanediamide
CID 44357829
G 33378
CID 3081954
4-(3-Hydroxybutyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
CID 71403338
3,5-Pyrazolidinedione, 1-(4-hydroxyphenyl)-2-phenyl-4-phenylacetyl-
CID 171383867

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione (CID 26936) is 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione is CC(C)C1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione?
The InChIKey is FUJCEKJBRZNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(2)16-17(22)19(13-6-4-3-5-7-13)20(18(16)23)14-8-10-15(21)11-9-14/h3-12,16,21H,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione?
1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione has a molecular weight of 310.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione is sourced from PubChem (CID 26936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).