1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione

C14H9ClN2O3 — CID 4050381

IUPAC1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccco1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-5-10(6-4-9)17-14(19)12(13(18)16-17)8-11-2-1-7-20-11/h1-8H,(H,16,18)
InChIKeyZXAUFGWONRMXLC-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.39
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione

1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione (PubChem CID 4050381) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
PubChem CID4050381
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccco1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-5-10(6-4-9)17-14(19)12(13(18)16-17)8-11-2-1-7-20-11/h1-8H,(H,16,18)
InChIKeyZXAUFGWONRMXLC-UHFFFAOYSA-N
XLogP2.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.39
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'}

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Related Compounds

(4E)-1-(3-chloro-4-methylphenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
CID 6934966
(5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2179731
1,2-bis(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
CID 127036806
(4Z)-1-(3-bromophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
CID 6051669
(4Z)-4-benzylidene-1-(4-chlorophenyl)pyrazolidine-3,5-dione
CID 834076
(5Z)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 867946
1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2,2-dimethyl-1,3-diazinane-4,6-dione
CID 150435671
(4Z)-1-(4-chlorophenyl)-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione
CID 794041
1-(3-chlorophenyl)-4-[3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione
CID 834881
4-[5-[(E)-[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 6367665
1-(3,4-dichlorophenyl)-4-[3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione
CID 888660
1-(4-chlorophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]pyrazolidine-3,5-dione
CID 3624163

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione (CID 4050381) is 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione is O=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccco1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione?
The InChIKey is ZXAUFGWONRMXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-3-5-10(6-4-9)17-14(19)12(13(18)16-17)8-11-2-1-7-20-11/h1-8H,(H,16,18).
What are the key properties of 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione?
1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione has a molecular weight of 288.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione is sourced from PubChem (CID 4050381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).