TL;DR: 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide (CAS 1212293-12-3) is a chemical compound with molecular formula C16H15BrN4O3 and molecular weight 390.03275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-1-methylpyrazole-3-carboxamide
Also Known As: 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide, 4-bromo-N-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-1-methyl-1H-pyrazole-3-carboxamide, 4-Bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-1-methylpyrazole-3-carboxamide, 4-bromo-N-((3aR,4S,4aS,5aR,6R,6aS)-1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-1-methyl-1H-pyrazole-3-carboxamide, 4-bromo-N-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-1-methyl-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H15BrN4O3 |
| Molecular Weight | 390.03275 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.03275 Da |
| Heavy Atoms | 24 |
| Complexity | 646.0 |
| SMILES | CN1C=C(C(=N1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Br |
| InChIKey | LMHHPCYJUBLDJT-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide is 1212293-12-3.
The molecular formula of 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide is C16H15BrN4O3.
The molecular weight of 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide is 390.03275 g/mol.
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