TL;DR: 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine (CAS 1185358-54-6) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.14774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-amine
Also Known As: 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine, 1-(3,4-Diethoxy-benzyl)-1H-pyrazol-4-ylamine, 1-(3,4-diethoxybenzyl)-1h-pyrazol-4-ylamine, 1-[(3,4-Diethoxyphenyl)methyl]-1H-pyrazol-4-amine, 1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-amine
| Molecular Formula | C14H19N3O2 |
| Molecular Weight | 261.14774 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.14774 Da |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
| SMILES | CCOC1=C(C=C(C=C1)CN2C=C(C=N2)N)OCC |
| InChIKey | NWHYFFCUCXYKDJ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine. Following Lipinski's Rule of Five, 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine 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 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine is 1185358-54-6.
The molecular formula of 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine is C14H19N3O2.
The molecular weight of 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine is 261.14774 g/mol.
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