(4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one

C20H11F3N2O3 — CID 16754370

IUPAC(4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
SMILESO=C1/C(=C\c2coc3ccccc3c2=O)C(C(F)(F)F)=NN1c1ccccc1
InChIInChI=1S/C20H11F3N2O3/c21-20(22,23)18-15(19(27)25(24-18)13-6-2-1-3-7-13)10-12-11-28-16-9-5-4-8-14(16)17(12)26/h1-11H/b15-10-
InChIKeyWPQPQUNSZPOJLZ-GDNBJRDFSA-N
MW384.31 g/mol
LogP4.14
Rot. Bonds2

About (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one

(4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one (PubChem CID 16754370) has the molecular formula C20H11F3N2O3 and a molecular weight of 384.31 g/mol. Its IUPAC name is (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
PubChem CID16754370
Molecular FormulaC20H11F3N2O3
Molecular Weight384.31 g/mol
Exact Mass384.07
IUPAC Name(4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
SMILESO=C1/C(=C\c2coc3ccccc3c2=O)C(C(F)(F)F)=NN1c1ccccc1
InChIInChI=1S/C20H11F3N2O3/c21-20(22,23)18-15(19(27)25(24-18)13-6-2-1-3-7-13)10-12-11-28-16-9-5-4-8-14(16)17(12)26/h1-11H/b15-10-
InChIKeyWPQPQUNSZPOJLZ-GDNBJRDFSA-N
XLogP4.14
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.14
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-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-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

Related Compounds

(4Z)-4-[(6-ethyl-4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 16754472
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6040723
4-[(4-hydroxyphenyl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 4160257
(4Z)-4-[(6,7-dichloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 11732090
5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2186033
(5Z)-1-(4-methylphenyl)-5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 46258225
(5Z)-5-[(4-oxochromen-3-yl)methylidene]-1-[(1S)-1-phenylethyl]-1,3-diazinane-2,4,6-trione
CID 51660255
(5Z)-5-[(4-oxochromen-3-yl)methylidene]-1-(1-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 45105225
(4Z)-4-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-2-(2,3,5,6-tetrafluorophenyl)-5-(trifluoromethyl)pyrazol-3-one
CID 86573181
4-[(1,3-dimethylpyrazol-4-yl)methylidene]-5-(1,1,2,2,2-pentafluoroethyl)-2-phenylpyrazol-3-one
CID 4774654
(4E)-4-[(2,7-dimethyl-1-prop-2-enylindol-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 126039770
(5E)-3-methyl-2-methylsulfanyl-5-[(4-oxochromen-3-yl)methylidene]imidazol-4-one
CID 50908837

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?
The IUPAC name of (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one (CID 16754370) is (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?
The canonical SMILES for (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one is O=C1/C(=C\c2coc3ccccc3c2=O)C(C(F)(F)F)=NN1c1ccccc1.
What is the InChIKey of (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?
The InChIKey is WPQPQUNSZPOJLZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H11F3N2O3/c21-20(22,23)18-15(19(27)25(24-18)13-6-2-1-3-7-13)10-12-11-28-16-9-5-4-8-14(16)17(12)26/h1-11H/b15-10-.
What are the key properties of (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one?
(4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one has a molecular weight of 384.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one is sourced from PubChem (CID 16754370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).