About 1-(pyrrolidin-2-ylmethyl)pyrazole
1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 25220770) has the molecular formula C8H13N3
and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)pyrazole.
Molecular Properties
| Compound Name | 1-(pyrrolidin-2-ylmethyl)pyrazole |
| PubChem CID | 25220770 |
| Molecular Formula | C8H13N3 |
| Molecular Weight | 151.21 g/mol |
| Exact Mass | 151.11 |
| IUPAC Name | 1-(pyrrolidin-2-ylmethyl)pyrazole |
| SMILES | c1cnn(CC2CCCN2)c1 |
| InChI | InChI=1S/C8H13N3/c1-3-8(9-4-1)7-11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2 |
| InChIKey | NROSSDZFPHQESU-UHFFFAOYSA-N |
| XLogP | 0.64 |
| TPSA | 29.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 151.21 |
| LogP ≤ 5 | 0.64 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrazole (CID 25220770) is 1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)pyrazole is c1cnn(CC2CCCN2)c1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is NROSSDZFPHQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-8(9-4-1)7-11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)pyrazole?
1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 25220770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).