| Formula |
C25H20F4N4O3S |
| IUPAC Name |
2-[3-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide |
| Molecular Mass |
532.510 g·mol−1 |
| Heat of Formation |
-876.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.17 ± 1.08 D |
| Volume |
565.92 Å 3 |
| Surface Area |
438.56 Å 2 |
| HOMO Energy |
-9.48 ± 0.55 eV |
| LUMO Energy |
-1.40 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[3-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-mesylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
- 2-[3-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide
|
| InChIKey |
ZLUOAFAJSUPHOG-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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