TL;DR: 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine (CAS 1185398-47-3) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-ethylphenoxy)methyl]pyrazol-4-amine
Also Known As: 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine, 1-((4-Ethylphenoxy)methyl)-1h-pyrazol-4-amine, 1-(4-ethylphenoxy)methyl-1H-pyrazol-4-amine, 1-[(4-ethylphenoxy)methyl]pyrazole-4-ylamine, 1-(4-ETHYL-PHENOXYMETHYL)-1H-PYRAZOL-4-YLAMINE
| Molecular Formula | C12H15N3O |
| Molecular Weight | 217.1215 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.1215 Da |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
| SMILES | CCC1=CC=C(C=C1)OCN2C=C(C=N2)N |
| InChIKey | UCCPXDFAFSBJBC-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine. With a topological polar surface area (TPSA) of 53.1 Ų, 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine has 1 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 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine is 1185398-47-3.
The molecular formula of 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine is C12H15N3O.
The molecular weight of 1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine is 217.1215 g/mol.
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