trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane

C13H18N2O2SSi — CID 15932791

IUPACtrimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane
SMILESCc1ccc(S(=O)(=O)n2nccc2[Si](C)(C)C)cc1
InChIInChI=1S/C13H18N2O2SSi/c1-11-5-7-12(8-6-11)18(16,17)15-13(9-10-14-15)19(2,3)4/h5-10H,1-4H3
InChIKeyMALYDTNFOJBGTH-UHFFFAOYSA-N
MW294.45 g/mol
LogP1.97
Rot. Bonds3

About trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane

trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane (PubChem CID 15932791) has the molecular formula C13H18N2O2SSi and a molecular weight of 294.45 g/mol. Its IUPAC name is trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane
PubChem CID15932791
Molecular FormulaC13H18N2O2SSi
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Nametrimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane
SMILESCc1ccc(S(=O)(=O)n2nccc2[Si](C)(C)C)cc1
InChIInChI=1S/C13H18N2O2SSi/c1-11-5-7-12(8-6-11)18(16,17)15-13(9-10-14-15)19(2,3)4/h5-10H,1-4H3
InChIKeyMALYDTNFOJBGTH-UHFFFAOYSA-N
XLogP1.97
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 700199
1-Tosylpyrozole
CID 320750
1-Benzenesulfonylpyrazole
CID 588934
1-Benzenesulfonyl-4-bromo-5-trimethylsilanyl-1h-pyrazole
CID 5324096
4-iodo-1-tosyl-1H-pyrazole
CID 14041590
3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 785585
1-[(3,4-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 6463098
1-((2,5-dimethylphenyl)sulfonyl)-1H-pyrazole
CID 16004554
1-[(4-Ethylphenyl)sulfonyl]-3-methylpyrazole
CID 42588626
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
5-iodo-1-tosyl-1H-pyrazole
CID 15932794
Pyrazolium tosylate
CID 129736735

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane?
The IUPAC name of trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane (CID 15932791) is trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane.
What is the SMILES notation for trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane?
The canonical SMILES for trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane is Cc1ccc(S(=O)(=O)n2nccc2[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane?
The InChIKey is MALYDTNFOJBGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2SSi/c1-11-5-7-12(8-6-11)18(16,17)15-13(9-10-14-15)19(2,3)4/h5-10H,1-4H3.
What are the key properties of trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane?
trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane has a molecular weight of 294.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane is sourced from PubChem (CID 15932791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).