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DQJ

Summary
Name:N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
Formula:C15 H22 N4 O2
Formal charge:0
Formula weight:290.361 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
OpenEye OEToolkits2.0.6~{N}-[(3~{S})-1-[(5-propan-2-yl-1~{H}-pyrazol-3-yl)carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(N2CCC(NC(C1CC1)=O)C2)(c3cc(C(C)C)nn3)=O
InChIInChI1.03InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1
InChIKeyInChI1.03CXEXTVGTDZRKJS-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385CC(C)c1[nH]nc(c1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3
SMILESCACTVS3.385CC(C)c1[nH]nc(c1)C(=O)N2CC[CH](C2)NC(=O)C3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3
SMILESOpenEye OEToolkits2.0.6CC(C)c1cc(n[nH]1)C(=O)N2CCC(C2)NC(=O)C3CC3

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PDB entries from 2024-07-10

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