928

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Summary

Name:5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Formula:C10 H7 Cl N4
Formal charge:0
Molecular weight:218.642 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
OpenEye OEToolkits1.5.05-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2ccc(n1ncc(C#N)c1N)cc2
SMILES_CANONICALCACTVS3.341Nc1n(ncc1C#N)c2ccc(Cl)cc2
SMILESCACTVS3.341Nc1n(ncc1C#N)c2ccc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1n2c(c(cn2)C#N)N)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1n2c(c(cn2)C#N)N)Cl
InChIInChI1.03InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKeyInChI1.03WIWSALMJHPGFDY-UHFFFAOYSA-N