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JGI

Summary
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
Formula:C22 H21 N5 O3
Formal charge:0
Formula weight:403.434 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
OpenEye OEToolkits2.0.74-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-[3-(phenylcarbamoyl)phenyl]pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cnn(C)c1C(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1)N1CCC1
InChIInChI1.03InChI=1S/C22H21N5O3/c1-26-19(18(14-23-26)22(30)27-11-6-12-27)21(29)25-17-10-5-7-15(13-17)20(28)24-16-8-3-2-4-9-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyInChI1.03ORIOARJXMHWHKG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cccc(c3)C(=O)Nc4ccccc4
SMILESCACTVS3.385Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cccc(c3)C(=O)Nc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cccc(c3)C(=O)Nc4ccccc4
SMILESOpenEye OEToolkits2.0.7Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cccc(c3)C(=O)Nc4ccccc4

223532

PDB entries from 2024-08-07

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