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

C18H17N3O2 — CID 5189857

IUPAC4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1cccc(OC)c1
InChIInChI=1S/C18H17N3O2/c1-13-17(12-19-14-7-6-10-16(11-14)23-2)18(22)21(20-13)15-8-4-3-5-9-15/h3-12,19-20H,1H2,2H3
InChIKeyJJJAVSRKMGUIOK-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.43
Rot. Bonds4

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

4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 5189857) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
PubChem CID5189857
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1cccc(OC)c1
InChIInChI=1S/C18H17N3O2/c1-13-17(12-19-14-7-6-10-16(11-14)23-2)18(22)21(20-13)15-8-4-3-5-9-15/h3-12,19-20H,1H2,2H3
InChIKeyJJJAVSRKMGUIOK-UHFFFAOYSA-N
XLogP1.43
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2253149
3-[4-[(4-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid
CID 3531655
4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one
CID 3577253
diethyl 3-methyl-5-[[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]amino]thiophene-2,4-dicarboxylate
CID 2253126
2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
CID 2180854
(4Z)-4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2164972
(4E)-4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2184287
2-[(3-methoxyanilino)methylidene]cycloheptan-1-one
CID 3903364
N'-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methyl]benzohydrazide
CID 3456648
(2S)-2-[4-[(E)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 2274533
(2E)-2-[(3-methoxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 22695945
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (CID 5189857) is 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1cccc(OC)c1.
What is the InChIKey of 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is JJJAVSRKMGUIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-17(12-19-14-7-6-10-16(11-14)23-2)18(22)21(20-13)15-8-4-3-5-9-15/h3-12,19-20H,1H2,2H3.
What are the key properties of 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 307.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 5189857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).