(4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one

C31H22N4O2 — CID 6444485

IUPAC(4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\C2C(=O)N(c3ccccc3)N=C2c2ccccc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C31H22N4O2/c36-30-26(28(22-13-5-1-6-14-22)32-34(30)24-17-9-3-10-18-24)21-27-29(23-15-7-2-8-16-23)33-35(31(27)37)25-19-11-4-12-20-25/h1-21,26H/b27-21-
InChIKeyFAOSAWSOYDVFQW-MEFGMAGPSA-N
MW482.54 g/mol
LogP5.43
Rot. Bonds5

About (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one

(4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one (PubChem CID 6444485) has the molecular formula C31H22N4O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one
PubChem CID6444485
Molecular FormulaC31H22N4O2
Molecular Weight482.54 g/mol
Exact Mass482.17
IUPAC Name(4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\C2C(=O)N(c3ccccc3)N=C2c2ccccc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C31H22N4O2/c36-30-26(28(22-13-5-1-6-14-22)32-34(30)24-17-9-3-10-18-24)21-27-29(23-15-7-2-8-16-23)33-35(31(27)37)25-19-11-4-12-20-25/h1-21,26H/b27-21-
InChIKeyFAOSAWSOYDVFQW-MEFGMAGPSA-N
XLogP5.43
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.43
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 (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-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 (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one?
The IUPAC name of (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one (CID 6444485) is (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one is O=C1/C(=C\C2C(=O)N(c3ccccc3)N=C2c2ccccc2)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one?
The InChIKey is FAOSAWSOYDVFQW-MEFGMAGPSA-N. The full InChI is InChI=1S/C31H22N4O2/c36-30-26(28(22-13-5-1-6-14-22)32-34(30)24-17-9-3-10-18-24)21-27-29(23-15-7-2-8-16-23)33-35(31(27)37)25-19-11-4-12-20-25/h1-21,26H/b27-21-.
What are the key properties of (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one?
(4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one has a molecular weight of 482.54 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)methylidene]-2,5-diphenylpyrazol-3-one is sourced from PubChem (CID 6444485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).