TL;DR: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine (CAS 1185045-46-8) is a chemical compound with molecular formula C7H12N4O2 and molecular weight 184.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanamine
Also Known As: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine, 2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-ethylamine, 2-(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)ethan-1-amine, 2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanamine, 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamine
| Molecular Formula | C7H12N4O2 |
| Molecular Weight | 184.09602 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.09602 Da |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
| SMILES | CC1=C(C(=NN1CCN)C)[N+](=O)[O-] |
| InChIKey | GOCIJNUPEKWKQA-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine has 1 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 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine is 1185045-46-8.
The molecular formula of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine is C7H12N4O2.
The molecular weight of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanamine is 184.09602 g/mol.
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