4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one

C21H23N3O — CID 3577253

IUPAC4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=CNc1c(C)cccc1C
InChIInChI=1S/C21H23N3O/c1-13-9-10-18(11-16(13)4)24-21(25)19(17(5)23-24)12-22-20-14(2)7-6-8-15(20)3/h6-12,22-23H,5H2,1-4H3
InChIKeyHSHJGAZUINXTJD-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.66
Rot. Bonds3

About 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one

4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one (PubChem CID 3577253) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one.

Molecular Properties

Compound Name4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one
PubChem CID3577253
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=CNc1c(C)cccc1C
InChIInChI=1S/C21H23N3O/c1-13-9-10-18(11-16(13)4)24-21(25)19(17(5)23-24)12-22-20-14(2)7-6-8-15(20)3/h6-12,22-23H,5H2,1-4H3
InChIKeyHSHJGAZUINXTJD-UHFFFAOYSA-N
XLogP2.66
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-5-methylidene-4-[(propan-2-ylamino)methylidene]pyrazolidin-3-one
CID 3325747
4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide
CID 4749633
4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]amino]-N,N-diethylbenzenesulfonamide
CID 2253665
(4Z)-2-(4-chlorophenyl)-4-[(4-hydroxy-2-methylanilino)methylidene]-5-methylidenepyrazolidin-3-one
CID 2253558
3-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methylamino]benzoic acid
CID 4621387
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
4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 5189857
(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2253149
(4Z)-5-methylidene-2-phenyl-4-[(2,4,6-trimethylanilino)methylidene]pyrazolidine-3-thione
CID 2193680
5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one
CID 5190133
N'-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methyl]benzohydrazide
CID 3456648

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one?
The IUPAC name of 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one (CID 3577253) is 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one.
What is the SMILES notation for 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one?
The canonical SMILES for 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one is C=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=CNc1c(C)cccc1C.
What is the InChIKey of 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one?
The InChIKey is HSHJGAZUINXTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13-9-10-18(11-16(13)4)24-21(25)19(17(5)23-24)12-22-20-14(2)7-6-8-15(20)3/h6-12,22-23H,5H2,1-4H3.
What are the key properties of 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one?
4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one has a molecular weight of 333.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one is sourced from PubChem (CID 3577253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).