About N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide
N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 61150810) has the molecular formula C10H16N4O
and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide.
Molecular Properties
| Compound Name | N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide |
| PubChem CID | 61150810 |
| Molecular Formula | C10H16N4O |
| Molecular Weight | 208.26 g/mol |
| Exact Mass | 208.13 |
| IUPAC Name | N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide |
| SMILES | CN1CCCC(NC(=O)c2cn[nH]c2)C1 |
| InChI | InChI=1S/C10H16N4O/c1-14-4-2-3-9(7-14)13-10(15)8-5-11-12-6-8/h5-6,9H,2-4,7H2,1H3,(H,11,12)(H,13,15) |
| InChIKey | GTLWPXLGOBEBAS-UHFFFAOYSA-N |
| XLogP | 0.23 |
| TPSA | 61.02 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 208.26 |
| LogP ≤ 5 | 0.23 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide (CID 61150810) is N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide is CN1CCCC(NC(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is GTLWPXLGOBEBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-4-2-3-9(7-14)13-10(15)8-5-11-12-6-8/h5-6,9H,2-4,7H2,1H3,(H,11,12)(H,13,15).
What are the key properties of N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide?
N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61150810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).