ethyl 3-[3-phenyl-1-[4-(4-trifluoromethylbenzylaminocarbonyl)benzyl]-1H-pyrazol-4-yl]propionate
Basic information
- Standard SMILES
CCOC(=O)CCc1cn(Cc2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nc1-c1ccccc1- InChIKey
LWIOFCPIRURTBX-UHFFFAOYSA-N- Molecular formula
- C30H28F3N3O3
- Average molar mass
- 535.6 g/mol
Names & identifiers
- Preferred name
- ethyl 3-[3-phenyl-1-[4-(4-trifluoromethylbenzylaminocarbonyl)benzyl]-1H-pyrazol-4-yl]propionate
- IUPAC
- ethyl 3-[3-phenyl-1-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]pyrazol-4-yl]propanoate
Names & synonyms
ethyl 3-[3-phenyl-1-[4-(4-trifluoromethylbenzylaminocarbonyl)benzyl]-1H-pyrazol-4-yl]propionateSCHEMBL5385822
Database identifiers
- PubChem CID
- 69424062
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 773
Related reactions
4 records
Compound notes
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