TL;DR: 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1310355-16-8) is a chemical compound with molecular formula C16H20N4O and molecular weight 284.1637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 3-tert-butyl-N'-[(1Z)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(tert-butyl)-N'-(4-methylbenzylidene)-1H-pyrazole-5-carbohydrazide, 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID (4-METHYL-BENZYLIDENE)-HYDRAZIDE, 5-tert-butyl-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H20N4O |
| Molecular Weight | 284.1637 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.1637 Da |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
| SMILES | CC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C(C)(C)C |
| InChIKey | ZOEKQGJHXAAQLM-LICLKQGHSA-N |
The XLogP value of 3.5 indicates that 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1310355-16-8.
The molecular formula of 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C16H20N4O.
The molecular weight of 3-tert-butyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 284.1637 g/mol.
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