(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione

C17H12Cl2N2O3 — CID 1270516

IUPAC(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
SMILESCOC1=CC=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC(=C(C=C3)Cl)Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-24-12-5-2-10(3-6-12)8-13-16(22)20-21(17(13)23)11-4-7-14(18)15(19)9-11/h2-9H,1H3,(H,20,22)/b13-8+
InChIKeyMOORPLHGYGULKX-MDWZMJQESA-N
MW363.20 g/mol
LogP4.00
Rot. Bonds3

About (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione

(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione (PubChem CID 1270516) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
PubChem CID1270516
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
SMILESCOC1=CC=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC(=C(C=C3)Cl)Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-24-12-5-2-10(3-6-12)8-13-16(22)20-21(17(13)23)11-4-7-14(18)15(19)9-11/h2-9H,1H3,(H,20,22)/b13-8+
InChIKeyMOORPLHGYGULKX-MDWZMJQESA-N
XLogP4.00
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity532

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-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

4-(3-(Benzyloxy)benzylidene)-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
CID 1075248
N-(3,4-Dichloro-phenyl)-2-(4-ethoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 9564200
(4Z)-4-(3-methoxybenzylidene)-1-phenylpyrazolidine-3,5-dione
CID 12655547
(4E)-1-(3,4-dichlorophenyl)-4-(4-hydroxy-3-methoxybenzylidene)pyrazolidine-3,5-dione
CID 1104467
1-(3,4-Dichlorophenyl)-4-(4-hydroxybenzylidene)pyrazolidine-3,5-dione
CID 726514
4-[4-(Benzyloxy)benzylidene]-1-(3-chloro-4-methylphenyl)-3,5-pyrazolidinedione
CID 1723871
(2E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
N-(3,4-dichlorophenyl)-3-[2-(2-methoxybenzylidene)hydrazino]-3-oxopropanamide
CID 6876972
1-(3,4-Dichlorophenyl)-4-(4-hydroxy-3,5-dimethoxybenzylidene)pyrazolidine-3,5-dione
CID 29961826
4-(4-Hydroxy-3-methoxybenzylidene)-1-(3-chlorophenyl)pyrazolidine-3,5-dione
CID 825523
1-(3,4-Dichlorophenyl)-4-(3,4-dimethoxybenzylidene)pyrazolidine-3,5-dione
CID 1350361
1-(3,4-Dichlorophenyl)-4-(3-methoxybenzylidene)pyrazolidine-3,5-dione
CID 44592292

Frequently Asked Questions

What is the IUPAC name of (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione?
The IUPAC name of (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione (CID 1270516) is (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione.
What is the SMILES notation for (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione?
The canonical SMILES for (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione is COC1=CC=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC(=C(C=C3)Cl)Cl.
What is the InChIKey of (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione?
The InChIKey is MOORPLHGYGULKX-MDWZMJQESA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-24-12-5-2-10(3-6-12)8-13-16(22)20-21(17(13)23)11-4-7-14(18)15(19)9-11/h2-9H,1H3,(H,20,22)/b13-8+.
What are the key properties of (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione?
(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione has a molecular weight of 363.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione is sourced from PubChem (CID 1270516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).