N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
Basic information
- CAS
307346-37-8- Standard SMILES
CCOc1ccc(-c2cc(C(=O)NN=Cc3cccc(OCC)c3O)n[nH]2)cc1- InChIKey
DEHJNQWCCMEPCW-UHFFFAOYSA-N- Molecular formula
- C21H22N4O4
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
- IUPAC
- N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
- English name
- N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C21H22N4O4
- Molecular weight
- 394.42
Names & synonyms
AKOS0307518725(4-ETHOXY-PH)2H-PYRAZOLE-3-CARBOXYLIC ACID (3-ETHOXY-2-HO-BENZYLIDENE)HYDRAZIDEN'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(4-ethoxyphenyl)-, 2-[(3-ethoxy-2-hydroxyphenyl)methylene]hydrazide
Database identifiers
- CAS
307346-37-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 8.54 · 8.54±0.40(Predicted)
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Compound notes
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