(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one

C21H16N2O2 — CID 2278456

IUPAC(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccc3ccccc3c2)c(=O)/c1=C\c1ccc(O)cc1
InChIInChI=1S/C21H16N2O2/c1-14-20(12-15-6-10-19(24)11-7-15)21(25)23(22-14)18-9-8-16-4-2-3-5-17(16)13-18/h2-13,22,24H,1H2/b20-12-
InChIKeyZAOHJUXYXWUTQM-NDENLUEZSA-N
MW328.37 g/mol
LogP2.26
Rot. Bonds2

About (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one

(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one (PubChem CID 2278456) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one
PubChem CID2278456
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccc3ccccc3c2)c(=O)/c1=C\c1ccc(O)cc1
InChIInChI=1S/C21H16N2O2/c1-14-20(12-15-6-10-19(24)11-7-15)21(25)23(22-14)18-9-8-16-4-2-3-5-17(16)13-18/h2-13,22,24H,1H2/b20-12-
InChIKeyZAOHJUXYXWUTQM-NDENLUEZSA-N
XLogP2.26
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-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

(4E)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one
CID 2297020
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289
(2S)-2-[4-[(E)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 2274533
2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one
CID 5202357
2-(3,4-dimethylphenyl)-5-methylidene-4-[(4-nitrophenyl)methylidene]pyrazolidin-3-one
CID 3325750
(4E)-2-(3,4-dimethylphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-methylidenepyrazolidin-3-one
CID 2262584
2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
CID 2180854
4-[(E)-[1-(4-chlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 2253509
(4E)-2-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylidenepyrazolidin-3-one
CID 2058463
(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-iodophenyl)-5-methylidenepyrazolidin-3-one
CID 2286241
2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one
CID 78267053
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one?
The IUPAC name of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one (CID 2278456) is (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one.
What is the SMILES notation for (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one?
The canonical SMILES for (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one is C=c1[nH]n(-c2ccc3ccccc3c2)c(=O)/c1=C\c1ccc(O)cc1.
What is the InChIKey of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one?
The InChIKey is ZAOHJUXYXWUTQM-NDENLUEZSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-20(12-15-6-10-19(24)11-7-15)21(25)23(22-14)18-9-8-16-4-2-3-5-17(16)13-18/h2-13,22,24H,1H2/b20-12-.
What are the key properties of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one?
(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one has a molecular weight of 328.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one is sourced from PubChem (CID 2278456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).