trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane

C15H18N2Si — CID 150080978

IUPACtrimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane
SMILESCc1ccccc1-c1[nH]ncc1C#C[Si](C)(C)C
InChIInChI=1S/C15H18N2Si/c1-12-7-5-6-8-14(12)15-13(11-16-17-15)9-10-18(2,3)4/h5-8,11H,1-4H3,(H,16,17)
InChIKeyDRGIFUJTJSGXOQ-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.61
Rot. Bonds1

About trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane

trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane (PubChem CID 150080978) has the molecular formula C15H18N2Si and a molecular weight of 254.41 g/mol. Its IUPAC name is trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane
PubChem CID150080978
Molecular FormulaC15H18N2Si
Molecular Weight254.41 g/mol
Exact Mass254.12
IUPAC Nametrimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane
SMILESCc1ccccc1-c1[nH]ncc1C#C[Si](C)(C)C
InChIInChI=1S/C15H18N2Si/c1-12-7-5-6-8-14(12)15-13(11-16-17-15)9-10-18(2,3)4/h5-8,11H,1-4H3,(H,16,17)
InChIKeyDRGIFUJTJSGXOQ-UHFFFAOYSA-N
XLogP3.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane
CID 59774101
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096346
5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
CID 67841089
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
4-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 142631992
2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67644820
trimethyl-[2-(2-pyridin-2-ylphenyl)ethynyl]silane
CID 11086229
[4-(2-methylphenyl)-1H-pyrazol-5-yl]methanol
CID 105422819
trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane
CID 71489515
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 11345942
trimethyl-[2-[10-(2-trimethylsilylethynyl)fluoranthen-7-yl]ethynyl]silane
CID 10949276

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane (CID 150080978) is trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane is Cc1ccccc1-c1[nH]ncc1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane?
The InChIKey is DRGIFUJTJSGXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2Si/c1-12-7-5-6-8-14(12)15-13(11-16-17-15)9-10-18(2,3)4/h5-8,11H,1-4H3,(H,16,17).
What are the key properties of trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane?
trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane has a molecular weight of 254.41 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5-(2-methylphenyl)-1H-pyrazol-4-yl]ethynyl]silane is sourced from PubChem (CID 150080978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).