3-tert-butyl-N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
955866-54-3- Standard SMILES
COc1ccc(/C(C)=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1OC- InChIKey
HMKALECSZOPDIM-YBFXNURJSA-N- Molecular formula
- C18H24N4O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.18484064
Names & identifiers
- Preferred name
- 3-tert-butyl-N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
- IUPAC
- 5-tert-butyl-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
Names & synonyms
3-tert-butyl-N'-[1-(3,4-dimethoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazideAKOS001632330ST505613075-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID (1(3,4-DI-MEO-PH)ETHYLIDENE)HYDRAZIDEN-[(1E)-2-(3,4-dimethoxyphenyl)-1-azaprop-1-enyl][3-(tert-butyl)pyrazol-5-yl]c arboxamide
Database identifiers
- CAS
955866-54-3- PubChem CID
- 5336930
- EC Number
- 158-821-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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