3-(4-(Benzyloxy)phenyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
303104-87-2- Standard SMILES
O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1- InChIKey
TVEIBCZEHAJHES-MFKUBSTISA-N- Molecular formula
- C23H19N5O2
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.15387487
Names & identifiers
- Preferred name
- 3-(4-(Benzyloxy)phenyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-(4-phenylmethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Names & synonyms
303104-87-23-(4-(BENZYLOXY)PHENYL)-N'-(2-PYRIDINYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDERefChem:492470652-347-83-(4-(Benzyloxy)phenyl)-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide3-[4-(benzyloxy)phenyl]-N'-[(1E)-(pyridin-2-yl)methylidene]-1H-pyrazole-5-carbohydrazideAKOS000558372ST50256593F1092-1611(E)-3-(4-(benzyloxy)phenyl)-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide3-(4-phenylmethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamideN-((1E)-2-(2-pyridyl)-1-azavinyl){3-[4-(phenylmethoxy)phenyl]pyrazol-5-yl}carb oxamide
Database identifiers
- CAS
303104-87-2- PubChem CID
- 9564477
- EC Number
- 652-347-8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 558
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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