Basic information
- CAS
6068-59-3- Standard SMILES
CCc1ccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc(Cl)cc2)N3)cc1- InChIKey
TVGAJSJJSAQBCH-UHFFFAOYSA-N- Molecular formula
- C22H20ClF3N4O
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.1277735
Names & identifiers
- Preferred name
- 5-(4-chlorophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-chlorophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Names & synonyms
6068-59-35-(4-chlorophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideST50707433CBMicro_004051DTXSID80417435SMSF0012934AKOS001622497AKOS021991690CB058885-(4-chlorophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideBIM-0003919.P001SR-01000437373
Show more names
SR-01000437373-1[5-(4-chlorophenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazape rhydroin-2-yl)]-N-(4-ethylphenyl)carboxamide
Database identifiers
- CAS
6068-59-3- PubChem CID
- 2884151
- DTXSID
DTXSID80417435
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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