Basic information
- CAS
515121-07-0- Standard SMILES
Cn1ncc(Cl)c1C(=O)NN=Cc1ccccc1C(F)(F)F- InChIKey
MJLNVEDOHVEZQE-UHFFFAOYSA-N- Molecular formula
- C13H10ClF3N4O
- Average molar mass
- 330.69 g/mol
- Monoisotopic mass
- 330.0495231
Names & identifiers
- Preferred name
- 4-chloro-1-methyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
- IUPAC
- 4-chloro-1-methyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
- English name
- 4-chloro-1-methyl-N'-[2-(trifluoromethyl)benzylidene]-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C13H10ClF3N4O
- Molecular weight
- 330.69
Names & synonyms
4-chloro-1-methyl-N'-[2-(trifluoromethyl)benzylidene]-1H-pyrazole-5-carbohydrazide
Database identifiers
- CAS
515121-07-0- PubChem CID
- 841285
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Density
- 1.44 · 1.440±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.829 · 10.829±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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