TL;DR: 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride (CAS 1049715-83-4) is a chemical compound with molecular formula C13H17Cl2N3 and molecular weight 285.07996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine;hydrochloride
Also Known As: 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride, IFLAB-BB F2108-0040, Z-5686, 5-TERT-BUTYL-2-(3-CHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE HYDROCHLORIDE, 5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-amine;hydrochloride
| Molecular Formula | C13H17Cl2N3 |
| Molecular Weight | 285.07996 g/mol |
| XLogP | 3.8272 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.07996 Da |
| Heavy Atoms | 18 |
| Complexity | 264.0 |
| SMILES | CC(C)(C)C1=NN(C(=C1)N)C2=CC(=CC=C2)Cl.Cl |
| InChIKey | CFQIKAYKESYZBH-UHFFFAOYSA-N |
The XLogP value of 3.8272 indicates that 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride is 1049715-83-4.
The molecular formula of 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride is C13H17Cl2N3.
The molecular weight of 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine hydrochloride is 285.07996 g/mol.
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