3-(4-(Benzyloxy)phenyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
302918-67-8- Standard SMILES
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1- InChIKey
IFDMVWMJHCDYCL-UXHLAJHPSA-N- Molecular formula
- C29H26N6O2
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.21172409
Names & identifiers
- Preferred name
- 3-(4-(Benzyloxy)phenyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
- English name
- N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
- Molecular formula
- C29H26N6O2
- Molecular weight
- 490.56
Names & synonyms
3-[4-(BENZYLOXY)PHENYL]-N'-[(E)-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE3-(4-(Benzyloxy)phenyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazideRefChem:492466302918-67-8683-864-7AKOS001618747ST021411N-[(1E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-azavinyl]{3-[4-(phenylmethoxy) phenyl]pyrazol-5-yl}carboxamideN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide1H-Pyrazole-3-carboxylic acid, 5-[4-(phenylmethoxy)phenyl]-, 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]hydrazide
Database identifiers
- CAS
302918-67-8- PubChem CID
- 6869486
- EC Number
- 683-864-7
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 745
Physicochemical properties
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 9.68 · 9.68±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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