3-(4-bromophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
306758-36-1- Standard SMILES
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc(OC)c1OC- InChIKey
VJWNGQGBWDLGCO-SSDVNMTOSA-N- Molecular formula
- C20H19BrN4O4
- Average molar mass
- 459.3 g/mol
- Monoisotopic mass
- 458.05897
Names & identifiers
- Preferred name
- 3-(4-bromophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-(4-bromophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Names & synonyms
3-(4-bromophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazideSTK104063AKOS001632339(E)-3-(4-bromophenyl)-N'-(3,4,5-trimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide5(4-BR-PH)-2H-PYRAZOLE-3-CARBOXYLIC ACID (3,4,5-TRIMETHOXY-BENZYLIDENE)HYDRAZIDE
Database identifiers
- CAS
306758-36-1- PubChem CID
- 6865396
- EC Number
- 162-538-3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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