4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione

C19H20N2O3 — CID 4641

💊View drug profile → oxyphenbutazone
IUPAC4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
InChIKeyHFHZKZSRXITVMK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.49
Rot. Bonds5

About 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione

4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione (PubChem CID 4641) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
PubChem CID4641
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
InChIKeyHFHZKZSRXITVMK-UHFFFAOYSA-N
XLogP3.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.49
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

Oxyphenbutazone, (S)-
CID 448033
Oxyphenbutazone monohydrate
CID 104811
1-(4-Hydroxyphenyl)-2-phenyl-4-(propan-2-yl)pyrazolidine-3,5-dione
CID 26936
3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-
CID 121428
1-(4-Hydroxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 217804
N,N'-Bis(4-hydroxyphenyl)-1,6-hexanediamide
CID 13277852
N-(4-hydroxyphenyl)-4-methylpentanamide
CID 28780644
2-butyl-N,N'-bis(4-hydroxy-2-methylphenyl)propanediamide
CID 44357828
2-butyl-N,N'-bis(4-hydroxyphenyl)propanediamide
CID 44357829
N-(4-hydroxyphenyl)-5-methylhexanamide
CID 56673333
4-Butyl-5-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-1H-pyrazol-3(2H)-one
CID 199014
G 33378
CID 3081954

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione?
The IUPAC name of 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione (CID 4641) is 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione is CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.
What is the InChIKey of 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione?
The InChIKey is HFHZKZSRXITVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3.
What are the key properties of 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione?
4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione has a molecular weight of 324.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 4641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).