About (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
(5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone (PubChem CID 2400746) has the molecular formula C10H7FN2O2
and a molecular weight of 206.18 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone.
Molecular Properties
| Compound Name | (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone |
| PubChem CID | 2400746 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.18 g/mol |
| Exact Mass | 206.05 |
| IUPAC Name | (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone |
| SMILES | O=C(c1cn[nH]c1)c1cc(F)ccc1O |
| InChI | InChI=1S/C10H7FN2O2/c11-7-1-2-9(14)8(3-7)10(15)6-4-12-13-5-6/h1-5,14H,(H,12,13) |
| InChIKey | AIPGHCGSUWDJOL-UHFFFAOYSA-N |
| XLogP | 1.49 |
| TPSA | 65.98 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 | 206.18 |
| LogP ≤ 5 | 1.49 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone (CID 2400746) is (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is AIPGHCGSUWDJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-1-2-9(14)8(3-7)10(15)6-4-12-13-5-6/h1-5,14H,(H,12,13).
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 206.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 2400746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).