About N-(2-methylpyrazol-3-yl)benzamide
N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 2808899) has the molecular formula C11H11N3O
and a molecular weight of 201.23 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)benzamide.
Molecular Properties
| Compound Name | N-(2-methylpyrazol-3-yl)benzamide |
| PubChem CID | 2808899 |
| Molecular Formula | C11H11N3O |
| Molecular Weight | 201.23 g/mol |
| Exact Mass | 201.09 |
| IUPAC Name | N-(2-methylpyrazol-3-yl)benzamide |
| SMILES | Cn1nccc1NC(=O)c1ccccc1 |
| InChI | InChI=1S/C11H11N3O/c1-14-10(7-8-12-14)13-11(15)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,15) |
| InChIKey | HFWFAOSKDUVLRV-UHFFFAOYSA-N |
| XLogP | 1.67 |
| TPSA | 46.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 201.23 |
| LogP ≤ 5 | 1.67 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)benzamide (CID 2808899) is N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)benzamide is Cn1nccc1NC(=O)c1ccccc1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is HFWFAOSKDUVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-10(7-8-12-14)13-11(15)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,15).
What are the key properties of N-(2-methylpyrazol-3-yl)benzamide?
N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 201.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 2808899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).