15V

N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Created:2012-10-17
Last modified:  2012-10-19

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count41
Aromatic Bond Count21
2D diagram of 15V

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Chemical Component Summary

NameN-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Systematic Name (OpenEye OEToolkits)N-[2-(3-chlorophenyl)-5-methyl-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
FormulaC17 H13 Cl N6 O
Molecular Weight352.778
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)n2nc(cc2NC(=O)c3c4ncccn4nc3)C
SMILESCACTVS3.370Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4
SMILESOpenEye OEToolkits1.7.6Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4
Canonical SMILESCACTVS3.370 Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4
InChIInChI1.03 InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25)
InChIKeyInChI1.03 YLBXBHSEZZNJPX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2178806
PubChem 70496411
ChEMBL CHEMBL2178806