About 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 37044281) has the molecular formula C19H15N5O
and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.
Molecular Properties
| Compound Name | 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide |
| PubChem CID | 37044281 |
| Molecular Formula | C19H15N5O |
| Molecular Weight | 329.36 g/mol |
| Exact Mass | 329.13 |
| IUPAC Name | 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide |
| SMILES | O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(-n2cccn2)cc1 |
| InChI | InChI=1S/C19H15N5O/c25-19(14-5-7-17(8-6-14)24-12-2-10-21-24)22-16-4-1-3-15(13-16)18-9-11-20-23-18/h1-13H,(H,20,23)(H,22,25) |
| InChIKey | HOMNPIHNBHOCIP-UHFFFAOYSA-N |
| XLogP | 3.51 |
| TPSA | 75.60 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 329.36 |
| LogP ≤ 5 | 3.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (CID 37044281) is 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is HOMNPIHNBHOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(14-5-7-17(8-6-14)24-12-2-10-21-24)22-16-4-1-3-15(13-16)18-9-11-20-23-18/h1-13H,(H,20,23)(H,22,25).
What are the key properties of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 37044281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).