TL;DR: N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide (CAS 1001519-21-6) is a chemical compound with molecular formula C8H13ClN4O and molecular weight 216.07779 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-aminoethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide
Also Known As: N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide, N-(2-aminoethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide, N-(2-aminoethyl)-4-chloro-1,5-dimethyl-pyrazole-3-carboxamide, 4-Chloro-1,5-dimethyl-1 H -pyrazole-3-carboxylic acid (2-amino-ethyl)-amide, 4-Chloro-1,5-dimethyl-1H-pyrazole-3-carboxylic acid (2-amino-ethyl)-amide
| Molecular Formula | C8H13ClN4O |
| Molecular Weight | 216.07779 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07779 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | CC1=C(C(=NN1C)C(=O)NCCN)Cl |
| InChIKey | XXVRZFCHSGASIG-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide 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 N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide is 1001519-21-6.
The molecular formula of N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide is C8H13ClN4O.
The molecular weight of N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide is 216.07779 g/mol.
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