3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
Basic information
- CAS
296262-12-9- Standard SMILES
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc12- InChIKey
GYZHZBSRFPXWBF-UHFFFAOYSA-N- Molecular formula
- C20H14F3N3OS
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.08096774
Names & identifiers
- Preferred name
- 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
- IUPAC
- 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
Names & synonyms
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxamideSTK371079AKOS000576394EU-0068100AK-968/40143844SR-01000400364SR-01000400364-1Z28170018296262-12-9
Database identifiers
- CAS
296262-12-9- PubChem CID
- 1027609
- EC Number
- 134-246-6
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
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]
P264, P270, P273, P301+P317, P330, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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