trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

C22H25F3N2OSi — CID 102286110

IUPACtrimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H25F3N2OSi/c1-29(2,3)14-13-28-16-27-15-20(17-7-5-4-6-8-17)21(26-27)18-9-11-19(12-10-18)22(23,24)25/h4-12,15H,13-14,16H2,1-3H3
InChIKeyVXEQCMDMKZCNDX-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.55
Rot. Bonds7

About trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 102286110) has the molecular formula C22H25F3N2OSi and a molecular weight of 418.54 g/mol. Its IUPAC name is trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
PubChem CID102286110
Molecular FormulaC22H25F3N2OSi
Molecular Weight418.54 g/mol
Exact Mass418.17
IUPAC Nametrimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H25F3N2OSi/c1-29(2,3)14-13-28-16-27-15-20(17-7-5-4-6-8-17)21(26-27)18-9-11-19(12-10-18)22(23,24)25/h4-12,15H,13-14,16H2,1-3H3
InChIKeyVXEQCMDMKZCNDX-UHFFFAOYSA-N
XLogP6.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fezolamine
CID 54567
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole
CID 2740138
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-N-ethyl-2-methoxyethanamine
CID 70733299
1-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 59694029
N-{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-ethyl-2-methoxyethanamine
CID 70745264
1-Tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
CID 14175136
1-Methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
CID 14175137
Trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 42612115
5-(5-Tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 72697529
1-Methyl-4-phenyl-5-(trifluoromethyl)pyrazole
CID 86122086

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (CID 102286110) is trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
The InChIKey is VXEQCMDMKZCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2OSi/c1-29(2,3)14-13-28-16-27-15-20(17-7-5-4-6-8-17)21(26-27)18-9-11-19(12-10-18)22(23,24)25/h4-12,15H,13-14,16H2,1-3H3.
What are the key properties of trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 418.54 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 102286110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).