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09K

Summary
Name:N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Formula:C15 H14 F3 N3 O2
Formal charge:0
Formula weight:325.286 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
OpenEye OEToolkits1.7.2N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)Oc1ccc(cc1)CC(=O)Nc2cc(nn2)C3CC3
InChIInChI1.03InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
InChIKeyInChI1.03YFXWYMXXKFMSOB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370FC(F)(F)Oc1ccc(CC(=O)Nc2[nH]nc(c2)C3CC3)cc1
SMILESCACTVS3.370FC(F)(F)Oc1ccc(CC(=O)Nc2[nH]nc(c2)C3CC3)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F

223532

PDB entries from 2024-08-07

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