TL;DR: 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide (CAS 1285573-97-8) is a chemical compound with molecular formula C23H27N5O2 and molecular weight 405.21646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-butoxyphenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide, (E)-3-(4-butoxyphenyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide, 3-(4-butoxyphenyl)-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-1H-pyrazole-5-carboxamide, N-{(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}[3-(4-butoxyphenyl)pyrazol-5-yl ]carboxamide
| Molecular Formula | C23H27N5O2 |
| Molecular Weight | 405.21646 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.21646 Da |
| Heavy Atoms | 30 |
| Complexity | 540.0 |
| SMILES | CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)N(C)C |
| InChIKey | DDSRRAUHBMOLIP-LFVJCYFKSA-N |
The XLogP value of 4.5 indicates that 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 1285573-97-8.
The molecular formula of 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is C23H27N5O2.
The molecular weight of 3-(4-butoxyphenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 405.21646 g/mol.
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