(4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione

C19H19N3O3 — CID 69447547

IUPAC(4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione
SMILESCCCOc1ccc(/C=C2/C(=O)NN(c3ccccn3)C2=O)cc1C
InChIInChI=1S/C19H19N3O3/c1-3-10-25-16-8-7-14(11-13(16)2)12-15-18(23)21-22(19(15)24)17-6-4-5-9-20-17/h4-9,11-12H,3,10H2,1-2H3,(H,21,23)/b15-12-
InChIKeyDYFJKKCJXQUNDO-QINSGFPZSA-N
MW337.38 g/mol
LogP2.64
Rot. Bonds5

About (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione

(4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione (PubChem CID 69447547) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione
PubChem CID69447547
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione
SMILESCCCOc1ccc(/C=C2/C(=O)NN(c3ccccn3)C2=O)cc1C
InChIInChI=1S/C19H19N3O3/c1-3-10-25-16-8-7-14(11-13(16)2)12-15-18(23)21-22(19(15)24)17-6-4-5-9-20-17/h4-9,11-12H,3,10H2,1-2H3,(H,21,23)/b15-12-
InChIKeyDYFJKKCJXQUNDO-QINSGFPZSA-N
XLogP2.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
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)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-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)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione?
The IUPAC name of (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione (CID 69447547) is (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione is CCCOc1ccc(/C=C2/C(=O)NN(c3ccccn3)C2=O)cc1C.
What is the InChIKey of (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione?
The InChIKey is DYFJKKCJXQUNDO-QINSGFPZSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-10-25-16-8-7-14(11-13(16)2)12-15-18(23)21-22(19(15)24)17-6-4-5-9-20-17/h4-9,11-12H,3,10H2,1-2H3,(H,21,23)/b15-12-.
What are the key properties of (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione?
(4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione has a molecular weight of 337.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione is sourced from PubChem (CID 69447547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).