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19A

Summary
Name:N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Formula:C16 H16 N4 O
Formal charge:0
Formula weight:280.324 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.5.0N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(C)C)c3cc(c2nncc2c1ccccc1)cn3
SMILES_CANONICALCACTVS3.341CN(C)C(=O)c1[nH]cc(c1)c2n[nH]cc2c3ccccc3
SMILESCACTVS3.341CN(C)C(=O)c1[nH]cc(c1)c2n[nH]cc2c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3
SMILESOpenEye OEToolkits1.5.0CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3
InChIInChI1.03InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)
InChIKeyInChI1.03OPBUUQBZKJSWTN-UHFFFAOYSA-N

224201

PDB entries from 2024-08-28

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