1CK

4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide

Created:2011-04-05
Last modified:  2013-05-01

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count11
2D diagram of 1CK

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Chemical Component Summary

Name4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
Systematic Name (OpenEye OEToolkits)4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
FormulaC11 H10 Br N3 O
Molecular Weight280.121
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nnc(c1)C)c2ccc(Br)cc2
SMILESCACTVS3.370Cc1[nH]nc(NC(=O)c2ccc(Br)cc2)c1
SMILESOpenEye OEToolkits1.7.0Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br
Canonical SMILESCACTVS3.370 Cc1[nH]nc(NC(=O)c2ccc(Br)cc2)c1
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br
InChIInChI1.03 InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyInChI1.03 PXLNCBTUYNESDD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5330990
ChEMBL CHEMBL323594