C11H15ClN4S — CID 105193576
[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine (PubChem CID 105193576) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine.
| Compound Name | [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine |
|---|---|
| PubChem CID | 105193576 |
| Molecular Formula | C11H15ClN4S |
| Molecular Weight | 270.79 g/mol |
| Exact Mass | 270.07 |
| IUPAC Name | [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine |
| SMILES | CCCn1ncc(Cl)c1C(NN)c1cccs1 |
| InChI | InChI=1S/C11H15ClN4S/c1-2-5-16-11(8(12)7-14-16)10(15-13)9-4-3-6-17-9/h3-4,6-7,10,15H,2,5,13H2,1H3 |
| InChIKey | DOARIIRGFVQCSE-UHFFFAOYSA-N |
| XLogP | 2.56 |
| TPSA | 55.87 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 270.79 |
| LogP ≤ 5 | 2.56 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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