1Z6

4-(4-fluorophenyl)-3-methyl-1H-pyrazole

Created:2014-02-27
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count11
2D diagram of 1Z6

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Chemical Component Summary

Name4-(4-fluorophenyl)-3-methyl-1H-pyrazole
Systematic Name (OpenEye OEToolkits)4-(4-fluorophenyl)-3-methyl-1H-pyrazole
FormulaC10 H9 F N2
Molecular Weight176.19
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc2ccc(c1cnnc1C)cc2
SMILESCACTVS3.385Cc1n[nH]cc1c2ccc(F)cc2
SMILESOpenEye OEToolkits1.9.2Cc1c(c[nH]n1)c2ccc(cc2)F
Canonical SMILESCACTVS3.385 Cc1n[nH]cc1c2ccc(F)cc2
Canonical SMILESOpenEye OEToolkits1.9.2 Cc1c(c[nH]n1)c2ccc(cc2)F
InChIInChI1.03 InChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyInChI1.03 XUVCYVPANABQRL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 67563593