About N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine (PubChem CID 64909426) has the molecular formula C13H23N3
and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine.
Molecular Properties
| Compound Name | N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine |
| PubChem CID | 64909426 |
| Molecular Formula | C13H23N3 |
| Molecular Weight | 221.35 g/mol |
| Exact Mass | 221.19 |
| IUPAC Name | N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine |
| SMILES | CCNC1CCC(c2ccnn2CC)C1C |
| InChI | InChI=1S/C13H23N3/c1-4-14-12-7-6-11(10(12)3)13-8-9-15-16(13)5-2/h8-12,14H,4-7H2,1-3H3 |
| InChIKey | UBLXWFWIPDSNRX-UHFFFAOYSA-N |
| XLogP | 2.39 |
| TPSA | 29.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 221.35 |
| LogP ≤ 5 | 2.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine (CID 64909426) is N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine is CCNC1CCC(c2ccnn2CC)C1C.
What is the InChIKey of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
The InChIKey is UBLXWFWIPDSNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-14-12-7-6-11(10(12)3)13-8-9-15-16(13)5-2/h8-12,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64909426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).