TL;DR: 3-(4-Chloro-3-nitropyrazolyl)propanohydrazide (CAS 1004644-66-9) is a chemical compound with molecular formula C6H8ClN5O3 and molecular weight 233.03157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chloro-3-nitropyrazol-1-yl)propanehydrazide
Also Known As: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanehydrazide, 3-(4-chloro-3-nitropyrazolyl)propanohydrazide, 3-(4-chloro-3-nitropyrazol-1-yl)propanehydrazide, 3-(4-Chloro-3-nitro-pyrazol-1-yl)-propionic acid hydrazide, 3-(4-CHLORO-3-NITRO-1H-PYRAZOL-1-YL)PROPANOHYDRAZIDE
| Molecular Formula | C6H8ClN5O3 |
| Molecular Weight | 233.03157 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.03157 Da |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
| SMILES | C1=C(C(=NN1CCC(=O)NN)[N+](=O)[O-])Cl |
| InChIKey | LAFJREVKGVWAPX-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that 3-(4-Chloro-3-nitropyrazolyl)propanohydrazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-3-nitropyrazolyl)propanohydrazide. Following Lipinski's Rule of Five, 3-(4-Chloro-3-nitropyrazolyl)propanohydrazide 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-Chloro-3-nitropyrazolyl)propanohydrazide is 1004644-66-9.
The molecular formula of 3-(4-Chloro-3-nitropyrazolyl)propanohydrazide is C6H8ClN5O3.
The molecular weight of 3-(4-Chloro-3-nitropyrazolyl)propanohydrazide is 233.03157 g/mol.
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