(Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Basic information
- CAS
89093-69-6- Standard SMILES
Cc1c(N=Cc2ccccc2F)c(=O)n(-c2ccccc2)n1C- InChIKey
WLRVCWPNIXYXEH-UHFFFAOYSA-N- Molecular formula
- C18H16FN3O
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.1277403
Names & identifiers
- Preferred name
- (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
- IUPAC
- 4-[(2-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Names & synonyms
89093-69-6(Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-[(Z)-[(2-fluorophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one1401355-81-44-{[(E)-(2-fluorophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneChemDiv1_019576Oprea1_232774Oprea1_508797HMS642J18STK8260774-[(2-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-oneAKOS000524176
Show more names
AKOS002160676ST010293EU-0001742F0095-2240(E)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-[(1E)-2-(2-fluorophenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Database identifiers
- CAS
89093-69-6- PubChem CID
- 710097
- EC Number
- 167-435-7
- Nikkaji
- J3.121.191C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 510
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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