2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane

C17H19F3N2Si — CID 153436168

IUPAC2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane
SMILESCCc1cnn(-c2ccc(C#C[Si](C)(C)C)cc2)c1C(F)(F)F
InChIInChI=1S/C17H19F3N2Si/c1-5-14-12-21-22(16(14)17(18,19)20)15-8-6-13(7-9-15)10-11-23(2,3)4/h6-9,12H,5H2,1-4H3
InChIKeyIDMSOYXVGQBWIL-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.68
Rot. Bonds2

About 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane

2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane (PubChem CID 153436168) has the molecular formula C17H19F3N2Si and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane
PubChem CID153436168
Molecular FormulaC17H19F3N2Si
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane
SMILESCCc1cnn(-c2ccc(C#C[Si](C)(C)C)cc2)c1C(F)(F)F
InChIInChI=1S/C17H19F3N2Si/c1-5-14-12-21-22(16(14)17(18,19)20)15-8-6-13(7-9-15)10-11-23(2,3)4/h6-9,12H,5H2,1-4H3
InChIKeyIDMSOYXVGQBWIL-UHFFFAOYSA-N
XLogP4.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole
CID 153436157
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
(E)-2,3-dichloro-N-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]but-2-enamide
CID 129060915
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
CID 66438359
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442458
[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66438123
1-(4-ethylphenyl)-5-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 82527711
carbon dioxide;1-(3,5-dimethoxyphenyl)-4-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazole
CID 159360458
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
N-[[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66441171
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82527606
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanethiol
CID 82527607

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane (CID 153436168) is 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane is CCc1cnn(-c2ccc(C#C[Si](C)(C)C)cc2)c1C(F)(F)F.
What is the InChIKey of 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane?
The InChIKey is IDMSOYXVGQBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2Si/c1-5-14-12-21-22(16(14)17(18,19)20)15-8-6-13(7-9-15)10-11-23(2,3)4/h6-9,12H,5H2,1-4H3.
What are the key properties of 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane?
2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane has a molecular weight of 336.43 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 153436168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).