(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one

C24H19FN2O2 — CID 6485124

IUPAC(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O2/c1-17-23(24(28)27(26-17)21-5-3-2-4-6-21)15-18-9-13-22(14-10-18)29-16-19-7-11-20(25)12-8-19/h2-15H,16H2,1H3/b23-15+
InChIKeyYFDHVAURZOFVAM-HZHRSRAPSA-N
MW386.43 g/mol
LogP5.21
Rot. Bonds5

About (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one

(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one (PubChem CID 6485124) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
PubChem CID6485124
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O2/c1-17-23(24(28)27(26-17)21-5-3-2-4-6-21)15-18-9-13-22(14-10-18)29-16-19-7-11-20(25)12-8-19/h2-15H,16H2,1H3/b23-15+
InChIKeyYFDHVAURZOFVAM-HZHRSRAPSA-N
XLogP5.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-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)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one (CID 6485124) is (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is YFDHVAURZOFVAM-HZHRSRAPSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-17-23(24(28)27(26-17)21-5-3-2-4-6-21)15-18-9-13-22(14-10-18)29-16-19-7-11-20(25)12-8-19/h2-15H,16H2,1H3/b23-15+.
What are the key properties of (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 386.43 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 6485124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).