TL;DR: (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide (CAS 1299371-20-2) is a chemical compound with molecular formula C17H23N5O and molecular weight 313.19025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide, (E)-5-(tert-Butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-3-carbohydrazide, 3-tert-butyl-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide, 5-TERT-BU-2H-PYRAZOLE-3-CARBOXYLIC ACID (4-DIMETHYLAMINO-BENZYLIDENE)-HYDRAZIDE, 5-tert-butyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C17H23N5O |
| Molecular Weight | 313.19025 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.19025 Da |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
| SMILES | CC(C)(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=C(C=C2)N(C)C |
| InChIKey | ZYDLDCUJAUITBK-WOJGMQOQSA-N |
The XLogP value of 3.3 indicates that (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-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 (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide is 1299371-20-2.
The molecular formula of (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide is C17H23N5O.
The molecular weight of (E)-3-(tert-butyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide is 313.19025 g/mol.
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