About (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 105129852) has the molecular formula C10H9ClFN3O
and a molecular weight of 241.65 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol.
Molecular Properties
| Compound Name | (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol |
| PubChem CID | 105129852 |
| Molecular Formula | C10H9ClFN3O |
| Molecular Weight | 241.65 g/mol |
| Exact Mass | 241.04 |
| IUPAC Name | (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol |
| SMILES | Cn1ncc(Cl)c1C(O)c1cncc(F)c1 |
| InChI | InChI=1S/C10H9ClFN3O/c1-15-9(8(11)5-14-15)10(16)6-2-7(12)4-13-3-6/h2-5,10,16H,1H3 |
| InChIKey | GCKURTRMFUNZJB-UHFFFAOYSA-N |
| XLogP | 1.69 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 241.65 |
| LogP ≤ 5 | 1.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol (CID 105129852) is (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol is Cn1ncc(Cl)c1C(O)c1cncc(F)c1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is GCKURTRMFUNZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-9(8(11)5-14-15)10(16)6-2-7(12)4-13-3-6/h2-5,10,16H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 241.65 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 105129852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).