TL;DR: N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine (CAS 1039005-31-6) is a chemical compound with molecular formula C11H11ClN4O2 and molecular weight 266.05707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine
Also Known As: N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine, [2-(4-chlorophenyl)ethyl](4-nitropyrazol-5-yl)amine, N-[2-(4-chlorophenyl)ethyl]-4-nitro-2H-pyrazol-3-amine, N-(4-CHLOROPHENETHYL)-N-(4-NITRO-1H-PYRAZOL-5-YL)AMINE
| Molecular Formula | C11H11ClN4O2 |
| Molecular Weight | 266.05707 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 86.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.05707 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | C1=CC(=CC=C1CCNC2=C(C=NN2)[N+](=O)[O-])Cl |
| InChIKey | OKXRLVHXMOITBE-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine. Following Lipinski's Rule of Five, N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine has 2 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 N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine is 1039005-31-6.
The molecular formula of N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine is C11H11ClN4O2.
The molecular weight of N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrazol-5-amine is 266.05707 g/mol.
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