About 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine
1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine (PubChem CID 82092564) has the molecular formula C15H16N4O
and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine.
Molecular Properties
| Compound Name | 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine |
| PubChem CID | 82092564 |
| Molecular Formula | C15H16N4O |
| Molecular Weight | 268.32 g/mol |
| Exact Mass | 268.13 |
| IUPAC Name | 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine |
| SMILES | Cn1nc(CCOc2cccc3cccnc23)cc1N |
| InChI | InChI=1S/C15H16N4O/c1-19-14(16)10-12(18-19)7-9-20-13-6-2-4-11-5-3-8-17-15(11)13/h2-6,8,10H,7,9,16H2,1H3 |
| InChIKey | YDDJLHVWYKODSE-UHFFFAOYSA-N |
| XLogP | 2.17 |
| TPSA | 65.96 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 268.32 |
| LogP ≤ 5 | 2.17 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine (CID 82092564) is 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine is Cn1nc(CCOc2cccc3cccnc23)cc1N.
What is the InChIKey of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
The InChIKey is YDDJLHVWYKODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-14(16)10-12(18-19)7-9-20-13-6-2-4-11-5-3-8-17-15(11)13/h2-6,8,10H,7,9,16H2,1H3.
What are the key properties of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine is sourced from PubChem (CID 82092564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).