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4GD

Summary
Name:N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:C17 H14 N6 O
Formal charge:0
Formula weight:318.333 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
OpenEye OEToolkits1.9.2N-(5-methyl-2-phenyl-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c1n(nc(c1)C)c2ccccc2)C(=O)c3cnn4c3nccc4
InChIInChI1.03InChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24)
InChIKeyInChI1.03MCBSZIDQUDBWTG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4
SMILESCACTVS3.385Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4
SMILESOpenEye OEToolkits1.9.2Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4

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PDB entries from 2024-07-17

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