03K

N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide

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

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count11
2D diagram of 03K

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Chemical Component Summary

NameN-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide
Systematic Name (OpenEye OEToolkits)N4-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide
FormulaC14 H14 N4 O2
Molecular Weight270.287
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nnc(c1)C2CC2)c3ccc(C(=O)N)cc3
SMILESCACTVS3.370NC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3
Canonical SMILESCACTVS3.370 NC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3
InChIInChI1.03 InChI=1S/C14H14N4O2/c15-13(19)9-3-5-10(6-4-9)14(20)16-12-7-11(17-18-12)8-1-2-8/h3-8H,1-2H2,(H2,15,19)(H2,16,17,18,20)
InChIKeyInChI1.03 HGEJNHUGVPFHIF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5330977
ChEMBL CHEMBL325606