About 3-methoxy-5-pyrazol-1-ylphenol
3-methoxy-5-pyrazol-1-ylphenol (PubChem CID 165141321) has the molecular formula C10H10N2O2
and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-methoxy-5-pyrazol-1-ylphenol.
Molecular Properties
| Compound Name | 3-methoxy-5-pyrazol-1-ylphenol |
| PubChem CID | 165141321 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.20 g/mol |
| Exact Mass | 190.07 |
| IUPAC Name | 3-methoxy-5-pyrazol-1-ylphenol |
| SMILES | COc1cc(O)cc(-n2cccn2)c1 |
| InChI | InChI=1S/C10H10N2O2/c1-14-10-6-8(5-9(13)7-10)12-4-2-3-11-12/h2-7,13H,1H3 |
| InChIKey | HUTAXANAVBWXJQ-UHFFFAOYSA-N |
| XLogP | 1.59 |
| TPSA | 47.28 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 190.20 |
| LogP ≤ 5 | 1.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-methoxy-5-pyrazol-1-ylphenol?
The IUPAC name of 3-methoxy-5-pyrazol-1-ylphenol (CID 165141321) is 3-methoxy-5-pyrazol-1-ylphenol.
What is the SMILES notation for 3-methoxy-5-pyrazol-1-ylphenol?
The canonical SMILES for 3-methoxy-5-pyrazol-1-ylphenol is COc1cc(O)cc(-n2cccn2)c1.
What is the InChIKey of 3-methoxy-5-pyrazol-1-ylphenol?
The InChIKey is HUTAXANAVBWXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10-6-8(5-9(13)7-10)12-4-2-3-11-12/h2-7,13H,1H3.
What are the key properties of 3-methoxy-5-pyrazol-1-ylphenol?
3-methoxy-5-pyrazol-1-ylphenol has a molecular weight of 190.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-pyrazol-1-ylphenol is sourced from PubChem (CID 165141321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).