LJ7

N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide

Created:2019-02-22
Last modified:  2019-05-08

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count11
2D diagram of LJ7

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Chemical Component Summary

NameN-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(4-fluorophenyl)methyl]-1-propan-2-yl-pyrazole-3-carboxamide
FormulaC14 H16 F N3 O
Molecular Weight261.295
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C
SMILESCACTVS3.385CC(C)n1ccc(n1)C(=O)NCc2ccc(F)cc2
SMILESOpenEye OEToolkits2.0.6CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F
Canonical SMILESCACTVS3.385 CC(C)n1ccc(n1)C(=O)NCc2ccc(F)cc2
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F
InChIInChI1.03 InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyInChI1.03 LNEKDDDRHINJQA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 132345352