BQ5

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Summary

Name:(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine
Formula:C13 H15 N3
Formal charge:0
Molecular weight:213.278 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H15N3/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2
InChIKeyInChI1.03AITOIMRCVCWDAG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCc1nn(c2ccccc2)c3CCCc13
SMILESCACTVS3.385NCc1nn(c2ccccc2)c3CCCc13
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)n2c3c(c(n2)CN)CCC3
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)n2c3c(c(n2)CN)CCC3