Basic information
- Standard SMILES
Cn1nccc1C(C#Cc1ccc(C(F)(F)F)cc1)=NO- InChIKey
GKLBJLRWZKNLQS-UHFFFAOYSA-N- Molecular formula
- C14H10F3N3O
- Average molar mass
- 293.24 g/mol
Names & identifiers
- Preferred name
- N-hydroxy-1-(1-methyl-1H-pyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine
- IUPAC
- N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine
Names & synonyms
N-hydroxy-1-(1-methyl-1H-pyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imineSCHEMBL14938138LCQOJIMIGAVZOC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136387777
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
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