Ethyl 3,5-Dimethyl-1-(3-Nitrophenyl)-1H-Pyrazole-4-Carboxylate

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Properties Simple | Detailed

Formula C14H15N3O4
IUPAC Name ethyl 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylate
Molecular Mass 289.287 g·mol−1
Heat of Formation -163.1 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 332.6 Å 3
Surface Area 306.65 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
  • 3,5-dimethyl-1-(3-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester
  • 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid ethyl ester
  • 7de
  • phosphodiesterase 4 inhibitor
InChIKey MSYGAHOHLUJIKV-UHFFFAOYSA-N
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