(4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione

C16H10Cl2N2O2 — CID 748300

IUPAC(4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1
InChIInChI=1S/C16H10Cl2N2O2/c17-13-7-6-11(9-14(13)18)20-16(22)12(15(21)19-20)8-10-4-2-1-3-5-10/h1-9H,(H,19,21)/b12-8-
InChIKeyPAYSDIVTEWDIFN-WQLSENKSSA-N
MW333.17 g/mol
LogP3.45
Rot. Bonds2

About (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione

(4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione (PubChem CID 748300) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
PubChem CID748300
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name(4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1
InChIInChI=1S/C16H10Cl2N2O2/c17-13-7-6-11(9-14(13)18)20-16(22)12(15(21)19-20)8-10-4-2-1-3-5-10/h1-9H,(H,19,21)/b12-8-
InChIKeyPAYSDIVTEWDIFN-WQLSENKSSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.45
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'}

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Related Compounds

1-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethylidene)pyrazolidine-3,5-dione
CID 71835127
4-[(E)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]benzaldehyde
CID 1021434
4-benzylidene-1-(3-chlorophenyl)pyrazolidine-3,5-dione
CID 3100876
(4Z)-4-benzylidene-1-(4-chlorophenyl)pyrazolidine-3,5-dione
CID 834076
(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 1270516
(4E)-1-(3,4-dichlorophenyl)-4-[[4-[ethyl(methyl)amino]phenyl]methylidene]pyrazolidine-3,5-dione
CID 98438078
(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
CID 1270544
(4E)-1-(3,4-dichlorophenyl)-4-[(5-methylthiophen-2-yl)methylidene]pyrazolidine-3,5-dione
CID 1365354
(4Z)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126409887
[3-[(Z)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] thiophene-2-carboxylate
CID 1016782
(4Z)-1-(3-chloro-4-methylphenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 5407407
(4E)-4-[(4-chlorophenyl)methylidene]-1-(3-methylphenyl)pyrazolidine-3,5-dione
CID 2178022

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione?
The IUPAC name of (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione (CID 748300) is (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione is O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione?
The InChIKey is PAYSDIVTEWDIFN-WQLSENKSSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-13-7-6-11(9-14(13)18)20-16(22)12(15(21)19-20)8-10-4-2-1-3-5-10/h1-9H,(H,19,21)/b12-8-.
What are the key properties of (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione?
(4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione has a molecular weight of 333.17 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione is sourced from PubChem (CID 748300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).