About 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine (PubChem CID 83833173) has the molecular formula C12H19N3
and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine.
Molecular Properties
| Compound Name | 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine |
| PubChem CID | 83833173 |
| Molecular Formula | C12H19N3 |
| Molecular Weight | 205.30 g/mol |
| Exact Mass | 205.16 |
| IUPAC Name | 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine |
| SMILES | Cn1nc(C2CC2)cc1C1CCCNC1 |
| InChI | InChI=1S/C12H19N3/c1-15-12(10-3-2-6-13-8-10)7-11(14-15)9-4-5-9/h7,9-10,13H,2-6,8H2,1H3 |
| InChIKey | VXUPVIJJSZDYMN-UHFFFAOYSA-N |
| XLogP | 1.76 |
| TPSA | 29.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 205.30 |
| LogP ≤ 5 | 1.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine?
The IUPAC name of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine (CID 83833173) is 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine.
What is the SMILES notation for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine?
The canonical SMILES for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine is Cn1nc(C2CC2)cc1C1CCCNC1.
What is the InChIKey of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine?
The InChIKey is VXUPVIJJSZDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-12(10-3-2-6-13-8-10)7-11(14-15)9-4-5-9/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine?
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine has a molecular weight of 205.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine is sourced from PubChem (CID 83833173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).