About trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane (PubChem CID 103438533) has the molecular formula C14H20N2Si
and a molecular weight of 244.41 g/mol. Its IUPAC name is trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane.
Molecular Properties
| Compound Name | trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane |
| PubChem CID | 103438533 |
| Molecular Formula | C14H20N2Si |
| Molecular Weight | 244.41 g/mol |
| Exact Mass | 244.14 |
| IUPAC Name | trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane |
| SMILES | Cc1cnn(Cc2ccc([Si](C)(C)C)cc2)c1 |
| InChI | InChI=1S/C14H20N2Si/c1-12-9-15-16(10-12)11-13-5-7-14(8-6-13)17(2,3)4/h5-10H,11H2,1-4H3 |
| InChIKey | CBPAPIWAAQLLFS-UHFFFAOYSA-N |
| XLogP | 2.79 |
| TPSA | 17.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 244.41 |
| LogP ≤ 5 | 2.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane (CID 103438533) is trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane is Cc1cnn(Cc2ccc([Si](C)(C)C)cc2)c1.
What is the InChIKey of trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane?
The InChIKey is CBPAPIWAAQLLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2Si/c1-12-9-15-16(10-12)11-13-5-7-14(8-6-13)17(2,3)4/h5-10H,11H2,1-4H3.
What are the key properties of trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane?
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane has a molecular weight of 244.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane is sourced from PubChem (CID 103438533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).