| Formula |
C21H21FN4O2 |
| IUPAC Name |
[5-amino-1-(4-fluorophenyl)pyrazol-1-ium-4-id-4-yl]-[3-(4-piperidyloxy)phenyl]methanone |
| Molecular Mass |
380.415 g·mol−1 |
| Heat of Formation |
-100.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.68 ± 1.08 D |
| Volume |
441.38 Å 3 |
| Surface Area |
392.87 Å 2 |
| HOMO Energy |
-9.11 ± 0.55 eV |
| LUMO Energy |
2.18 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
- [5-amino-1-(4-fluorophenyl)-4-pyrazolyl]-[3-(4-piperidinyloxy)phenyl]methanone
- [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone
- [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(4-piperidyloxy)phenyl]methanone
- pqa
|
| InChIKey |
QKZZJXRGCHXIAI-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
F
O
N
|
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