triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane

C25H44N2Si2 — CID 134844916

IUPACtriethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane
SMILESCC[Si](CC)(CC)Cc1cc(C)cc(C[Si](CC)(CC)CC)c1-c1ccn(C)n1
InChIInChI=1S/C25H44N2Si2/c1-9-28(10-2,11-3)19-22-17-21(7)18-23(20-29(12-4,13-5)14-6)25(22)24-15-16-27(8)26-24/h15-18H,9-14,19-20H2,1-8H3
InChIKeyBVXRXDIWAFKDOJ-UHFFFAOYSA-N
MW428.81 g/mol
LogP7.58
Rot. Bonds11

About triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane

triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane (PubChem CID 134844916) has the molecular formula C25H44N2Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane.

Molecular Properties

Compound Nametriethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane
PubChem CID134844916
Molecular FormulaC25H44N2Si2
Molecular Weight428.81 g/mol
Exact Mass428.30
IUPAC Nametriethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane
SMILESCC[Si](CC)(CC)Cc1cc(C)cc(C[Si](CC)(CC)CC)c1-c1ccn(C)n1
InChIInChI=1S/C25H44N2Si2/c1-9-28(10-2,11-3)19-22-17-21(7)18-23(20-29(12-4,13-5)14-6)25(22)24-15-16-27(8)26-24/h15-18H,9-14,19-20H2,1-8H3
InChIKeyBVXRXDIWAFKDOJ-UHFFFAOYSA-N
XLogP7.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-[(2,5-dimethylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1-propyl-1,2,4-triazole
CID 166388189
3-(2,6-dichlorophenyl)-1-methylpyrazole
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1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
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3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine
CID 114202853
4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132027
chromium;1,3-dimethylpyrazole
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1,3-dimethylpyrazole;1-iodopropane
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Frequently Asked Questions

What is the IUPAC name of triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane?
The IUPAC name of triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane (CID 134844916) is triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane.
What is the SMILES notation for triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane?
The canonical SMILES for triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane is CC[Si](CC)(CC)Cc1cc(C)cc(C[Si](CC)(CC)CC)c1-c1ccn(C)n1.
What is the InChIKey of triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane?
The InChIKey is BVXRXDIWAFKDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2Si2/c1-9-28(10-2,11-3)19-22-17-21(7)18-23(20-29(12-4,13-5)14-6)25(22)24-15-16-27(8)26-24/h15-18H,9-14,19-20H2,1-8H3.
What are the key properties of triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane?
triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane has a molecular weight of 428.81 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane is sourced from PubChem (CID 134844916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).