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
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Synonyms
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- 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
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InChIKey |
MSYGAHOHLUJIKV-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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