TL;DR: 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1310113-52-0) is a chemical compound with molecular formula C16H20N4O2 and molecular weight 300.15863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-N-[(E)-(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 3-tert-butyl-N'-[(1Z)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(tert-butyl)-N'-(2-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide, 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID (2-METHOXY-BENZYLIDENE)-HYDRAZIDE, 5-tert-butyl-N-[(E)-(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H20N4O2 |
| Molecular Weight | 300.15863 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.15863 Da |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
| SMILES | CC(C)(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=CC=C2OC |
| InChIKey | MWYHCZJNIKVLSK-LICLKQGHSA-N |
The XLogP value of 3.1 indicates that 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide 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 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide 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 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1310113-52-0.
The molecular formula of 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C16H20N4O2.
The molecular weight of 3-tert-butyl-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 300.15863 g/mol.
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