About N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine (PubChem CID 107462403) has the molecular formula C12H22N4
and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine.
Molecular Properties
| Compound Name | N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine |
| PubChem CID | 107462403 |
| Molecular Formula | C12H22N4 |
| Molecular Weight | 222.34 g/mol |
| Exact Mass | 222.18 |
| IUPAC Name | N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine |
| SMILES | CCc1nn(C)cc1NC1CCCN(C)C1 |
| InChI | InChI=1S/C12H22N4/c1-4-11-12(9-16(3)14-11)13-10-6-5-7-15(2)8-10/h9-10,13H,4-8H2,1-3H3 |
| InChIKey | CFIBACQSTVOWSA-UHFFFAOYSA-N |
| XLogP | 1.49 |
| TPSA | 33.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 222.34 |
| LogP ≤ 5 | 1.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine (CID 107462403) is N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine is CCc1nn(C)cc1NC1CCCN(C)C1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
The InChIKey is CFIBACQSTVOWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-11-12(9-16(3)14-11)13-10-6-5-7-15(2)8-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 107462403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).