4-butyl-1,2-diphenylpyrazolidine-3,5-dione

C19H20N2O2 — CID 4781

💊View drug profile → phenylbutazone
IUPAC4-butyl-1,2-diphenylpyrazolidine-3,5-dione
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKeyVYMDGNCVAMGZFE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.79
Rot. Bonds5

About 4-butyl-1,2-diphenylpyrazolidine-3,5-dione

4-butyl-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 4781) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-butyl-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-butyl-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID4781
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-butyl-1,2-diphenylpyrazolidine-3,5-dione
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKeyVYMDGNCVAMGZFE-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Mofebutazone
CID 16639
Kebuzone
CID 3824
Feprazone
CID 35455
4,4-Diethyl-1-phenyl-3,5-pyrazolidinedione
CID 3031300
Cintazone
CID 16347
3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-
CID 168083
1,2-Diphenyl-3,5-pyrazolidinedione
CID 17561
3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-
CID 96342
4-Butyl-4-hydroxy-1,2-diphenyl-3,5-pyrazolidinedione
CID 101102
2-Methyl-N,N'-diphenyl-malonamide
CID 832561
3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
CID 73829
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, compd. with piperazine (1:1)
CID 78682

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione (CID 4781) is 4-butyl-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione is CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is VYMDGNCVAMGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3.
What are the key properties of 4-butyl-1,2-diphenylpyrazolidine-3,5-dione?
4-butyl-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 308.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 4781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).