(E)-N'-(4-hydroxy-3-methoxybenzylidene)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazide
Basic information
- CAS
306952-83-0- Standard SMILES
COc1cc(/C=N/NC(=O)CC2C(=O)NN=C2C)ccc1O- InChIKey
BUQTUFZNEBEFLZ-VIZOYTHASA-N- Molecular formula
- C14H16N4O4
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.117155
Names & identifiers
- Preferred name
- (E)-N'-(4-hydroxy-3-methoxybenzylidene)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazide
- IUPAC
- N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
Names & synonyms
306952-83-0(E)-N'-(4-hydroxy-3-methoxybenzylidene)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazideAF-399/13806058MLS000778137CHEMBL3213847DTXSID201328556STK850724AKOS001634282AKOS005629362AKOS021991847SMR000414531SR-01000081125
Show more names
SR-01000081125-1(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-acetic acid [1-(4-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazideN'-(4-hydroxy-3-methoxybenzylidene)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazideN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazideN'-[(E)-(4-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-2-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YL)ACETOHYDRAZIDEN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
Database identifiers
- CAS
306952-83-0- PubChem CID
- 135437779
- DTXSID
DTXSID201328556- ChEMBL
CHEMBL3213847
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Solubility24.8 [ug/mL] (The mean of the results at pH 7.4)
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