trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane

C14H20N2Si — CID 103438533

IUPACtrimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
SMILESCc1cnn(Cc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=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
InChIKeyCBPAPIWAAQLLFS-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.79
Rot. Bonds3

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 Nametrimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
PubChem CID103438533
Molecular FormulaC14H20N2Si
Molecular Weight244.41 g/mol
Exact Mass244.14
IUPAC Nametrimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
SMILESCc1cnn(Cc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=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
InChIKeyCBPAPIWAAQLLFS-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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).