(4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

C16H11FN2O2 — CID 2241713

IUPAC(4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2/c17-12-8-6-11(7-9-12)10-14-15(20)18-19(16(14)21)13-4-2-1-3-5-13/h1-10H,(H,18,20)/b14-10+
InChIKeyOANYBHUUBYIOSA-GXDHUFHOSA-N
MW282.27 g/mol
LogP2.29
Rot. Bonds2

About (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

(4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (PubChem CID 2241713) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
PubChem CID2241713
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name(4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2/c17-12-8-6-11(7-9-12)10-14-15(20)18-19(16(14)21)13-4-2-1-3-5-13/h1-10H,(H,18,20)/b14-10+
InChIKeyOANYBHUUBYIOSA-GXDHUFHOSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
CID 354929
4-Benzylidene-1-(4-iodophenyl)-3,5-pyrazolidinedione
CID 1049055
4-(4-Iodobenzylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
CID 10301426
5-methyl-3-oxo-N,2-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
CID 2384714
5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 5306234
3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-
CID 96342
1,5-Dimethyl-3-Oxidanyl-~{n}-[2,3,5,6-Tetrakis(Fluoranyl)-4-Phenyl-Phenyl]pyrazole-4-Carboxamide
CID 124220267
2-(2-Fluorophenyl)-4,5-dimethyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837573
7-methyl-2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145955655
7-chloro-2-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166626236
(3-fluorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanone
CID 682793

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (CID 2241713) is (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(F)cc1.
What is the InChIKey of (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The InChIKey is OANYBHUUBYIOSA-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-8-6-11(7-9-12)10-14-15(20)18-19(16(14)21)13-4-2-1-3-5-13/h1-10H,(H,18,20)/b14-10+.
What are the key properties of (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
(4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione has a molecular weight of 282.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 2241713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).