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A1B11

Summary
Name:(3S)-1-{1-[1-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropane-1-carbonyl}piperidine-3-carboxamide
Formula:C14 H17 F3 N4 O2
Formal charge:0
Formula weight:330.306 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-{1-[1-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropane-1-carbonyl}piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropyl]carbonylpiperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)n1nccc1C1(CC1)C(=O)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C14H17F3N4O2/c15-14(16,17)21-10(3-6-19-21)13(4-5-13)12(23)20-7-1-2-9(8-20)11(18)22/h3,6,9H,1-2,4-5,7-8H2,(H2,18,22)/t9-/m0/s1
InChIKeyInChI1.06QCOUSVMUBLQHPP-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)C2(CC2)c3ccnn3C(F)(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)C2(CC2)c3ccnn3C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cnn(c1C2(CC2)C(=O)N3CCC[C@@H](C3)C(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1cnn(c1C2(CC2)C(=O)N3CCCC(C3)C(=O)N)C(F)(F)F

248636

PDB entries from 2026-02-04

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