About N-(1H-pyrazol-5-yl)benzamide
N-(1H-pyrazol-5-yl)benzamide (PubChem CID 23298723) has the molecular formula C10H9N3O
and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)benzamide.
Molecular Properties
| Compound Name | N-(1H-pyrazol-5-yl)benzamide |
| PubChem CID | 23298723 |
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.20 g/mol |
| Exact Mass | 187.07 |
| IUPAC Name | N-(1H-pyrazol-5-yl)benzamide |
| SMILES | O=C(Nc1ccn[nH]1)c1ccccc1 |
| InChI | InChI=1S/C10H9N3O/c14-10(8-4-2-1-3-5-8)12-9-6-7-11-13-9/h1-7H,(H2,11,12,13,14) |
| InChIKey | FQUKZFSJTRQNCO-UHFFFAOYSA-N |
| XLogP | 1.66 |
| TPSA | 57.78 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 187.20 |
| LogP ≤ 5 | 1.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-(1H-pyrazol-5-yl)benzamide (CID 23298723) is N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is FQUKZFSJTRQNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10(8-4-2-1-3-5-8)12-9-6-7-11-13-9/h1-7H,(H2,11,12,13,14).
What are the key properties of N-(1H-pyrazol-5-yl)benzamide?
N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 187.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 23298723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).