TL;DR: 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CAS 1299483-95-6) is a chemical compound with molecular formula C23H28N4O2 and molecular weight 392.22122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide, (E)-3-((1S,3s)-adamantan-1-yl)-N'-(4-ethoxybenzylidene)-1H-pyrazole-5-carbohydrazide, 5-ADAMANTAN-1-YL-2H-PYRAZOLE-3-CARBOXYLIC ACID (4-ETHOXY-BENZYLIDENE)-HYDRAZIDE, 3-(ADAMANTAN-1-YL)-N'-[(E)-(4-ETHOXYPHENYL)METHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE, N'-[(E)-(4-ethoxyphenyl)methylidene]-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C23H28N4O2 |
| Molecular Weight | 392.22122 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.22122 Da |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
| SMILES | CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4 |
| InChIKey | JIWLQSGIFYAKRU-ZVHZXABRSA-N |
The XLogP value of 4.7 indicates that 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has 2 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 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is 1299483-95-6.
The molecular formula of 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is C23H28N4O2.
The molecular weight of 5-(1-adamantyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is 392.22122 g/mol.
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