About 1-pyrrolidin-3-ylpyrazol-4-ol
1-pyrrolidin-3-ylpyrazol-4-ol (PubChem CID 82416886) has the molecular formula C7H11N3O
and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpyrazol-4-ol.
Molecular Properties
| Compound Name | 1-pyrrolidin-3-ylpyrazol-4-ol |
| PubChem CID | 82416886 |
| Molecular Formula | C7H11N3O |
| Molecular Weight | 153.19 g/mol |
| Exact Mass | 153.09 |
| IUPAC Name | 1-pyrrolidin-3-ylpyrazol-4-ol |
| SMILES | Oc1cnn(C2CCNC2)c1 |
| InChI | InChI=1S/C7H11N3O/c11-7-4-9-10(5-7)6-1-2-8-3-6/h4-6,8,11H,1-3H2 |
| InChIKey | WMAFUMOUBQBYAK-UHFFFAOYSA-N |
| XLogP | 0.12 |
| TPSA | 50.08 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 153.19 |
| LogP ≤ 5 | 0.12 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-pyrrolidin-3-ylpyrazol-4-ol?
The IUPAC name of 1-pyrrolidin-3-ylpyrazol-4-ol (CID 82416886) is 1-pyrrolidin-3-ylpyrazol-4-ol.
What is the SMILES notation for 1-pyrrolidin-3-ylpyrazol-4-ol?
The canonical SMILES for 1-pyrrolidin-3-ylpyrazol-4-ol is Oc1cnn(C2CCNC2)c1.
What is the InChIKey of 1-pyrrolidin-3-ylpyrazol-4-ol?
The InChIKey is WMAFUMOUBQBYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-7-4-9-10(5-7)6-1-2-8-3-6/h4-6,8,11H,1-3H2.
What are the key properties of 1-pyrrolidin-3-ylpyrazol-4-ol?
1-pyrrolidin-3-ylpyrazol-4-ol has a molecular weight of 153.19 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpyrazol-4-ol is sourced from PubChem (CID 82416886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).