4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione

C15H16N2O3 — CID 141104329

IUPAC4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione
SMILESCCCOc1ccc(C=C2C(=O)N=NC2=O)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-4-7-20-13-6-5-11(9(2)10(13)3)8-12-14(18)16-17-15(12)19/h5-6,8H,4,7H2,1-3H3
InChIKeyOPIYGSWBSDKNRY-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.99
Rot. Bonds4

About 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione

4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione (PubChem CID 141104329) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione.

Molecular Properties

Compound Name4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione
PubChem CID141104329
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione
SMILESCCCOc1ccc(C=C2C(=O)N=NC2=O)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-4-7-20-13-6-5-11(9(2)10(13)3)8-12-14(18)16-17-15(12)19/h5-6,8H,4,7H2,1-3H3
InChIKeyOPIYGSWBSDKNRY-UHFFFAOYSA-N
XLogP2.99
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-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

4-[(3-methyl-2,4-dipropoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 11209346
(4Z)-4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione
CID 11302579
4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]-1-pyridin-4-ylpyrazolidine-3,5-dione
CID 69446713
(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
5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2207786
N-ethyl-2,3-dimethyl-4-propoxyaniline
CID 82266389
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
5-[(5-chloro-2-propoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 91962824
5-(2,3-dimethyl-4-propoxyphenyl)-5-oxopentanoic acid
CID 82266372
4-[(3-methyl-2,4-dipropoxyphenyl)methylidene]-2-phenyl-3H-pyrazole
CID 141104315

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione?
The IUPAC name of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione (CID 141104329) is 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione.
What is the SMILES notation for 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione?
The canonical SMILES for 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione is CCCOc1ccc(C=C2C(=O)N=NC2=O)c(C)c1C.
What is the InChIKey of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione?
The InChIKey is OPIYGSWBSDKNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-7-20-13-6-5-11(9(2)10(13)3)8-12-14(18)16-17-15(12)19/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione?
4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione has a molecular weight of 272.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyl-4-propoxyphenyl)methylidene]pyrazole-3,5-dione is sourced from PubChem (CID 141104329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).