M5W

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Summary

Name:5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
Formula:C15 H20 N4 O2
Formal charge:0
Molecular weight:288.345 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-azanyl-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H20N4O2/c1-15(2,3)19-13(16)11(14(17)20)12(18-19)9-6-5-7-10(8-9)21-4/h5-8H,16H2,1-4H3,(H2,17,20)
InChIKeyInChI1.03QDGDUSBCURLURJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C
SMILESCACTVS3.385COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N
SMILESOpenEye OEToolkits2.0.7CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N