About 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine
3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine (PubChem CID 174747041) has the molecular formula C10H11FN4
and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine.
Molecular Properties
| Compound Name | 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine |
| PubChem CID | 174747041 |
| Molecular Formula | C10H11FN4 |
| Molecular Weight | 206.22 g/mol |
| Exact Mass | 206.10 |
| IUPAC Name | 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine |
| SMILES | Nc1cn(-c2cccnc2)nc1CCF |
| InChI | InChI=1S/C10H11FN4/c11-4-3-10-9(12)7-15(14-10)8-2-1-5-13-6-8/h1-2,5-7H,3-4,12H2 |
| InChIKey | XOJPOIHHJSWRQM-UHFFFAOYSA-N |
| XLogP | 1.36 |
| TPSA | 56.73 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 206.22 |
| LogP ≤ 5 | 1.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine?
The IUPAC name of 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine (CID 174747041) is 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine?
The canonical SMILES for 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine is Nc1cn(-c2cccnc2)nc1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine?
The InChIKey is XOJPOIHHJSWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-4-3-10-9(12)7-15(14-10)8-2-1-5-13-6-8/h1-2,5-7H,3-4,12H2.
What are the key properties of 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine?
3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine has a molecular weight of 206.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine is sourced from PubChem (CID 174747041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).