(4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione

C18H15ClN2O4 — CID 1103684

IUPAC(4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione
SMILESCCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O
InChIInChI=1S/C18H15ClN2O4/c1-2-25-16-9-11(6-7-15(16)22)8-14-17(23)20-21(18(14)24)13-5-3-4-12(19)10-13/h3-10,22H,2H2,1H3,(H,20,23)/b14-8-
InChIKeyVQEMYDVBZOWFAX-ZSOIEALJSA-N
MW358.78 g/mol
LogP2.91
Rot. Bonds4

About (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione

(4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione (PubChem CID 1103684) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione
PubChem CID1103684
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name(4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione
SMILESCCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O
InChIInChI=1S/C18H15ClN2O4/c1-2-25-16-9-11(6-7-15(16)22)8-14-17(23)20-21(18(14)24)13-5-3-4-12(19)10-13/h3-10,22H,2H2,1H3,(H,20,23)/b14-8-
InChIKeyVQEMYDVBZOWFAX-ZSOIEALJSA-N
XLogP2.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione?
The IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione (CID 1103684) is (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione is CCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O.
What is the InChIKey of (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione?
The InChIKey is VQEMYDVBZOWFAX-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-2-25-16-9-11(6-7-15(16)22)8-14-17(23)20-21(18(14)24)13-5-3-4-12(19)10-13/h3-10,22H,2H2,1H3,(H,20,23)/b14-8-.
What are the key properties of (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione?
(4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione has a molecular weight of 358.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione is sourced from PubChem (CID 1103684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).