(4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one

C19H17ClN2O3 — CID 6504955

IUPAC(4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
SMILESCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(OC)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(10-13-4-9-16(24-2)11-18(13)25-3)19(23)22(21-12)15-7-5-14(20)6-8-15/h4-11H,1-3H3/b17-10+
InChIKeyMSWFHIHKAJIRRQ-LICLKQGHSA-N
MW356.81 g/mol
LogP4.16
Rot. Bonds4

About (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one

(4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one (PubChem CID 6504955) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one.

Molecular Properties

Compound Name(4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
PubChem CID6504955
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
SMILESCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(OC)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(10-13-4-9-16(24-2)11-18(13)25-3)19(23)22(21-12)15-7-5-14(20)6-8-15/h4-11H,1-3H3/b17-10+
InChIKeyMSWFHIHKAJIRRQ-LICLKQGHSA-N
XLogP4.16
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one 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 (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one?
The IUPAC name of (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one (CID 6504955) is (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one.
What is the SMILES notation for (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one?
The canonical SMILES for (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one is COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(OC)c1.
What is the InChIKey of (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one?
The InChIKey is MSWFHIHKAJIRRQ-LICLKQGHSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-17(10-13-4-9-16(24-2)11-18(13)25-3)19(23)22(21-12)15-7-5-14(20)6-8-15/h4-11H,1-3H3/b17-10+.
What are the key properties of (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one?
(4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one has a molecular weight of 356.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one is sourced from PubChem (CID 6504955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).