3-(4-((2-CL-Benzyl)oxy)PH)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
634897-33-9- Standard SMILES
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1- InChIKey
GKJBQXJAFKJCHF-ZMOGYAJESA-N- Molecular formula
- C22H17ClN4O2S
- Average molar mass
- 436.9 g/mol
- Monoisotopic mass
- 436.0760747
Names & identifiers
- Preferred name
- 3-(4-((2-CL-Benzyl)oxy)PH)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Names & synonyms
634897-33-93-(4-((2-CL-BENZYL)OXY)PH)-N'-(2-THIENYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDERefChem:492319655-468-43-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide5-(4-((2-Chlorobenzyl)oxy)phenyl)-N'-(thiophen-2-ylmethylene)-1H-pyrazole-3-carbohydrazideSTK108910AKOS001641291(E)-3-(4-((2-chlorobenzyl)oxy)phenyl)-N'-(thiophen-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
Database identifiers
- CAS
634897-33-9- PubChem CID
- 6889019
- EC Number
- 655-468-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 587
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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