8T7

1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine

Created:2017-03-03
Last modified:  2017-03-15

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count11
2D diagram of 8T7

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Chemical Component Summary

Name1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
Systematic Name (OpenEye OEToolkits)2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-amine
FormulaC11 H10 F3 N3
Molecular Weight241.212
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2(C)nc(C(F)(F)F)c(c1ccccc1)c2N
SMILESCACTVS3.385Cn1nc(c(c1N)c2ccccc2)C(F)(F)F
SMILESOpenEye OEToolkits2.0.6Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N
Canonical SMILESCACTVS3.385 Cn1nc(c(c1N)c2ccccc2)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N
InChIInChI1.03 InChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeyInChI1.03 KCCKFLAAEZFOPE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2740916
ChEMBL CHEMBL1401176