About chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium)
chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium) (PubChem CID 6395787) has the molecular formula C17H40ClN2P2Pd+3
and a molecular weight of 476.34 g/mol. Its IUPAC name is chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium).
Molecular Properties
| Compound Name | chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium) |
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| PubChem CID | 6395787 |
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| Molecular Formula | C17H40ClN2P2Pd+3 |
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| Molecular Weight | 476.34 g/mol |
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| Exact Mass | 475.14 |
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| IUPAC Name | chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium) |
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| SMILES | CC[PH+](CC)CC.CC[PH+](CC)CC.Cc1cc(C)[nH]n1.Cl[Pd+] |
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| InChI | InChI=1S/2C6H15P.C5H8N2.ClH.Pd/c2*1-4-7(5-2)6-3;1-4-3-5(2)7-6-4;;/h2*4-6H2,1-3H3;3H,1-2H3,(H,6,7);1H;/q;;;;+2/p+1 |
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| InChIKey | OJCVWMZCISCOEZ-UHFFFAOYSA-O |
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| XLogP | 6.23 |
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| TPSA | 28.68 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 23 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 476.34 |
| LogP ≤ 5 | 6.23 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium)?
The IUPAC name of chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium) (CID 6395787) is chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium).
What is the SMILES notation for chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium)?
The canonical SMILES for chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium) is CC[PH+](CC)CC.CC[PH+](CC)CC.Cc1cc(C)[nH]n1.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium)?
The InChIKey is OJCVWMZCISCOEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H15P.C5H8N2.ClH.Pd/c2*1-4-7(5-2)6-3;1-4-3-5(2)7-6-4;;/h2*4-6H2,1-3H3;3H,1-2H3,(H,6,7);1H;/q;;;;+2/p+1.
What are the key properties of chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium)?
chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium) has a molecular weight of 476.34 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);3,5-dimethyl-1H-pyrazole;bis(triethylphosphanium) is sourced from PubChem (CID 6395787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).