trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane

C10H13F3N2Si — CID 147192485

IUPACtrimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane
SMILESCc1[nH]nc(C(F)(F)F)c1C#C[Si](C)(C)C
InChIInChI=1S/C10H13F3N2Si/c1-7-8(5-6-16(2,3)4)9(15-14-7)10(11,12)13/h1-4H3,(H,14,15)
InChIKeyCBSBSUUUMWLRJC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.97
Rot. Bonds

About trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane

trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane (PubChem CID 147192485) has the molecular formula C10H13F3N2Si and a molecular weight of 246.31 g/mol. Its IUPAC name is trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane
PubChem CID147192485
Molecular FormulaC10H13F3N2Si
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Nametrimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane
SMILESCc1[nH]nc(C(F)(F)F)c1C#C[Si](C)(C)C
InChIInChI=1S/C10H13F3N2Si/c1-7-8(5-6-16(2,3)4)9(15-14-7)10(11,12)13/h1-4H3,(H,14,15)
InChIKeyCBSBSUUUMWLRJC-UHFFFAOYSA-N
XLogP2.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.97
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

5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 165431141
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane
CID 163231919
methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate
CID 20675413
trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 145191695
3-tert-butyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 160726622
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 55282490
4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
CID 131900570
3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)benzaldehyde
CID 175239552
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]borinic acid
CID 66730266
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol
CID 170818205
N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
CID 169473905
5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane
CID 87434938

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane (CID 147192485) is trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane is Cc1[nH]nc(C(F)(F)F)c1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane?
The InChIKey is CBSBSUUUMWLRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2Si/c1-7-8(5-6-16(2,3)4)9(15-14-7)10(11,12)13/h1-4H3,(H,14,15).
What are the key properties of trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane?
trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane has a molecular weight of 246.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane is sourced from PubChem (CID 147192485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).