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

C23H20N2O3S — CID 3081954

IUPAC1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
SMILESO=C1C(CCSc2ccccc2)C(=O)N(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C23H20N2O3S/c26-19-13-11-18(12-14-19)25-23(28)21(15-16-29-20-9-5-2-6-10-20)22(27)24(25)17-7-3-1-4-8-17/h1-14,21,26H,15-16H2
InChIKeyZINXZZBZWUOJNZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.49
Rot. Bonds6

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

1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione (PubChem CID 3081954) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
PubChem CID3081954
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
SMILESO=C1C(CCSc2ccccc2)C(=O)N(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C23H20N2O3S/c26-19-13-11-18(12-14-19)25-23(28)21(15-16-29-20-9-5-2-6-10-20)22(27)24(25)17-7-3-1-4-8-17/h1-14,21,26H,15-16H2
InChIKeyZINXZZBZWUOJNZ-UHFFFAOYSA-N
XLogP4.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.49
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
Oxyphenbutazone monohydrate
CID 104811
4-Hydroxysulfinpyrazone
CID 161594
1-(4-Hydroxyphenyl)-2-phenyl-4-(propan-2-yl)pyrazolidine-3,5-dione
CID 26936
4-[2-(4-Hydroxyphenyl)sulfinylethyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 21123997
1-(p-Hydroxyphenyl)-2-phenyl-4-[2-(phenylsulfonyl)ethyl]pyrazolidine-3,5-dione
CID 21524471
3,5-Pyrazolidinedione, 4-(4-hydroxy-3-methyl-2-butenyl)-1-(4-hydroxyphenyl)-2-phenyl-
CID 6440587
Oxyphenbutazone-d9
CID 46782667
(4S)-1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
CID 137553783
4-[2-(3-Hydroxyphenyl)sulfanylethyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 137553784
Oxyphenbutazone, (R)-
CID 6999979

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione (CID 3081954) is 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione is O=C1C(CCSc2ccccc2)C(=O)N(c2ccc(O)cc2)N1c1ccccc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione?
The InChIKey is ZINXZZBZWUOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-19-13-11-18(12-14-19)25-23(28)21(15-16-29-20-9-5-2-6-10-20)22(27)24(25)17-7-3-1-4-8-17/h1-14,21,26H,15-16H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione?
1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione has a molecular weight of 404.49 g/mol, XLogP of 4.49, 6 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-phenylsulfanylethyl)pyrazolidine-3,5-dione is sourced from PubChem (CID 3081954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).