Methyl 1-(2,4-Difluorophenyl)-5-[(E)-{[(2-Methyl-2-Propanyl)Carbamothioyl]Hydrazono}Methyl]-1H-Pyrazole-4-Carboxylate

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Properties Simple | Detailed

Formula C17H19F2N5O2S
IUPAC Name methyl 5-[(e)-(tert-butylcarbamothioylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
Molecular Mass 395.427 g·mol−1
Heat of Formation -297.8 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 449.29 Å 3
Surface Area 387.95 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(e)-(tert-butylthiocarbamoylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid methyl ester
  • 5-[(e)-[[(tert-butylamino)-thioxomethyl]hydrazono]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester
  • 5-[(tert-butylthiocarbamoylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid methyl ester
  • 5-[[[(tert-butylamino)-thioxomethyl]hydrazono]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester
  • methyl 5-[(e)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
  • methyl 5-[(e)-(tert-butylcarbamothioylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
  • methyl 5-[(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
  • methyl 5-[(tert-butylcarbamothioylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
  • methyl 5-{2-[(tert-butylamino)carbothioyl]carbohydrazonoyl}-1-(2,4-difluorophenyl)-1h-pyrazole-4-carboxylate
InChIKey CYNLZIBKERMMOA-AWQFTUOYSA-N
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