3-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
1285531-63-6- Standard SMILES
CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cc1- InChIKey
OHTCHPOEDGWCOZ-SRZZPIQSSA-N- Molecular formula
- C20H19N5O3
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.14878949
Names & identifiers
- Preferred name
- 3-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
- English name
- 3-(1,3-benzodioxol-5-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
- Molecular formula
- C20H19N5O3
- Molecular weight
- 377.4
Names & synonyms
1285531-63-6MLS000769223CHEMBL2006078DTXSID601324794STK575653AKOS002171046AKOS0055005083-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazideSMR000433957ST50054436(E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide3-(1,3-benzodioxol-5-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Show more names
1H-Pyrazole-3-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-, (2E)-2-[[4-(dimethylamino)phenyl]methylene]hydrazide
3-(2H-1,3-Benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide5-Benzo[1,3]dioxol-5-yl-2H-pyrazole-3-carboxylic acid [1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-hydrazideN-{(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}(3-(2H-benzo[3,4-d]1,3-dioxolen -5-yl)pyrazol-5-yl)carboxamide
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 564
Experimental & physicochemical properties
Solubility3.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…