TL;DR: 3-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide (CAS 1285612-99-8) is a chemical compound with molecular formula C14H10BrN5OS and molecular weight 374.97894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(5-bromothiophen-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: BAS 01859726, 3-(5-BROMO-2-THIENYL)-N'-(2-PYRIDINYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(5-Bromothiophen-2-yl)-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide, 5-(5-Bromo-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid pyridin-2-ylmethylene-hydrazide, (E)-3-(5-bromothiophen-2-yl)-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C14H10BrN5OS |
| Molecular Weight | 374.97894 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.97894 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | C1=CC=NC(=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br |
| InChIKey | UJHYFHCCJUBBOS-CAOOACKPSA-N |
The XLogP value of 3.1 indicates that 3-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-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-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is 1285612-99-8.
The molecular formula of 3-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is C14H10BrN5OS.
The molecular weight of 3-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is 374.97894 g/mol.
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