(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

C17H15N3O2 — CID 2253149

IUPAC(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\Nc1ccccc1O
InChIInChI=1S/C17H15N3O2/c1-12-14(11-18-15-9-5-6-10-16(15)21)17(22)20(19-12)13-7-3-2-4-8-13/h2-11,18-19,21H,1H2/b14-11-
InChIKeyNUZBXDGICZNCGI-KAMYIIQDSA-N
MW293.33 g/mol
LogP1.13
Rot. Bonds3

About (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 2253149) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
PubChem CID2253149
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\Nc1ccccc1O
InChIInChI=1S/C17H15N3O2/c1-12-14(11-18-15-9-5-6-10-16(15)21)17(22)20(19-12)13-7-3-2-4-8-13/h2-11,18-19,21H,1H2/b14-11-
InChIKeyNUZBXDGICZNCGI-KAMYIIQDSA-N
XLogP1.13
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methylamino]benzoate
CID 5190129
5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one
CID 5190133
5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one
CID 6894187
4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 5189857
(4Z)-2-(4-chlorophenyl)-4-[(4-hydroxy-2-methylanilino)methylidene]-5-methylidenepyrazolidin-3-one
CID 2253558
N'-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methyl]benzohydrazide
CID 3456648
3-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methylamino]benzoic acid
CID 4621387
diethyl 3-methyl-5-[[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]amino]thiophene-2,4-dicarboxylate
CID 2253126
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289
4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one
CID 3577253
(4E)-4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2184287
(4Z)-4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2164972

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (CID 2253149) is (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\Nc1ccccc1O.
What is the InChIKey of (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is NUZBXDGICZNCGI-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-14(11-18-15-9-5-6-10-16(15)21)17(22)20(19-12)13-7-3-2-4-8-13/h2-11,18-19,21H,1H2/b14-11-.
What are the key properties of (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 293.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 2253149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).