About [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone (PubChem CID 7998008) has the molecular formula C15H9FN2O4
and a molecular weight of 300.25 g/mol. Its IUPAC name is [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone.
Molecular Properties
| Compound Name | [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone |
| PubChem CID | 7998008 |
| Molecular Formula | C15H9FN2O4 |
| Molecular Weight | 300.25 g/mol |
| Exact Mass | 300.05 |
| IUPAC Name | [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone |
| SMILES | O=C(c1cnn(C(=O)c2ccco2)c1)c1cc(F)ccc1O |
| InChI | InChI=1S/C15H9FN2O4/c16-10-3-4-12(19)11(6-10)14(20)9-7-17-18(8-9)15(21)13-2-1-5-22-13/h1-8,19H |
| InChIKey | FMCSLJPHSDSAOZ-UHFFFAOYSA-N |
| XLogP | 2.24 |
| TPSA | 85.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 300.25 |
| LogP ≤ 5 | 2.24 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone (CID 7998008) is [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone is O=C(c1cnn(C(=O)c2ccco2)c1)c1cc(F)ccc1O.
What is the InChIKey of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is FMCSLJPHSDSAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O4/c16-10-3-4-12(19)11(6-10)14(20)9-7-17-18(8-9)15(21)13-2-1-5-22-13/h1-8,19H.
What are the key properties of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 300.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7998008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).