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

C20H21N3O3 — CID 69446713

IUPAC4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione
SMILESCCCOc1ccc(C=C2C(=O)NN(c3ccncc3)C2=O)c(C)c1C
InChIInChI=1S/C20H21N3O3/c1-4-11-26-18-6-5-15(13(2)14(18)3)12-17-19(24)22-23(20(17)25)16-7-9-21-10-8-16/h5-10,12H,4,11H2,1-3H3,(H,22,24)
InChIKeyRUHQFUYXYAUING-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds5

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

4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione (PubChem CID 69446713) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione
PubChem CID69446713
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione
SMILESCCCOc1ccc(C=C2C(=O)NN(c3ccncc3)C2=O)c(C)c1C
InChIInChI=1S/C20H21N3O3/c1-4-11-26-18-6-5-15(13(2)14(18)3)12-17-19(24)22-23(20(17)25)16-7-9-21-10-8-16/h5-10,12H,4,11H2,1-3H3,(H,22,24)
InChIKeyRUHQFUYXYAUING-UHFFFAOYSA-N
XLogP2.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
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 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-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

Related Compounds

(4Z)-4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione
CID 11302579
(4E)-4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 11221843
4-[[2-(2-methoxyethoxy)-3-methyl-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 69445935
(4Z)-4-[[2-(3-hydroxypropoxy)-3-methyl-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 69446913
ethyl (2R,3R)-4-[6-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methyl-3-propoxyphenoxy]-2,3-dihydroxybutanoate
CID 11488880
(4E)-1-phenyl-4-[(4-propoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione
CID 11337860
4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione
CID 141104329
(4E)-1-(4-bromophenyl)-4-[[4-(diethylamino)-2-propoxyphenyl]methylidene]pyrazolidine-3,5-dione
CID 2249108
(4Z)-4-[(2,3-dimethyl-4-pentylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 11360457
4-[(3-methyl-2,4-dipropoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 11209346
4-[[4-(diethylamino)-2-propoxyphenyl]methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
CID 3624165
(4Z)-4-[(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrazolidine-3,5-dione
CID 69447547

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione?
The IUPAC name of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione (CID 69446713) is 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione?
The canonical SMILES for 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione is CCCOc1ccc(C=C2C(=O)NN(c3ccncc3)C2=O)c(C)c1C.
What is the InChIKey of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione?
The InChIKey is RUHQFUYXYAUING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-11-26-18-6-5-15(13(2)14(18)3)12-17-19(24)22-23(20(17)25)16-7-9-21-10-8-16/h5-10,12H,4,11H2,1-3H3,(H,22,24).
What are the key properties of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione?
4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione has a molecular weight of 351.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione is sourced from PubChem (CID 69446713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).