About 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine
4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine (PubChem CID 115069364) has the molecular formula C10H18N4
and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine.
Molecular Properties
| Compound Name | 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine |
| PubChem CID | 115069364 |
| Molecular Formula | C10H18N4 |
| Molecular Weight | 194.28 g/mol |
| Exact Mass | 194.15 |
| IUPAC Name | 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine |
| SMILES | NCCCc1cnn(C2CCC2)c1N |
| InChI | InChI=1S/C10H18N4/c11-6-2-3-8-7-13-14(10(8)12)9-4-1-5-9/h7,9H,1-6,11-12H2 |
| InChIKey | OQMRLUTXQOHFEQ-UHFFFAOYSA-N |
| XLogP | 1.08 |
| TPSA | 69.86 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 194.28 |
| LogP ≤ 5 | 1.08 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine?
The IUPAC name of 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine (CID 115069364) is 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine.
What is the SMILES notation for 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine?
The canonical SMILES for 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine is NCCCc1cnn(C2CCC2)c1N.
What is the InChIKey of 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine?
The InChIKey is OQMRLUTXQOHFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-6-2-3-8-7-13-14(10(8)12)9-4-1-5-9/h7,9H,1-6,11-12H2.
What are the key properties of 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine?
4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine has a molecular weight of 194.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-cyclobutylpyrazol-5-amine is sourced from PubChem (CID 115069364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).