(E)-3-(4-(benzyloxy)phenyl)-N'-(4-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
403649-46-7- Standard SMILES
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1- InChIKey
SUFYWWLJUWYADP-UHFFFAOYSA-N- Molecular formula
- C25H22N4O3
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.16919058
Names & identifiers
- Preferred name
- (E)-3-(4-(benzyloxy)phenyl)-N'-(4-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
- English name
- (E)-3-(4-(benzyloxy)phenyl)-N-(4-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C25H22N4O3
- Molecular weight
- 426.47
Names & synonyms
403649-46-7(E)-3-(4-(benzyloxy)phenyl)-N'-(4-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide3-[4-(benzyloxy)phenyl]-N'-[(1E)-(4-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazideSTK106914AKOS000558306N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamideST022260F1092-1608(E)-3-(4-(benzyloxy)phenyl)-N-(4-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide5-(4-BENZYLOXY-PH)-2H-PYRAZOLE-3-CARBOXYLIC ACID (4-MEO-BENZYLIDENE)-HYDRAZIDEN-[(1E)-2-(4-methoxyphenyl)-1-azavinyl]{3-[4-(phenylmethoxy)phenyl]pyrazol-5-y l}carboxamide3-[4-(benzyloxy)phenyl]-N'-[(E)-(4-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
Show more names
1H-Pyrazole-3-carboxylic acid, 5-[4-(phenylmethoxy)phenyl]-, 2-[(4-methoxyphenyl)methylene]hydrazide
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- Density
- 1.222 · 1.222±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.696 · 9.696±0.46(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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