3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline

C17H27N3O2Si — CID 150463736

IUPAC3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
SMILESCOc1cc(N)ccc1-c1cn(COCC[Si](C)(C)C)nc1C
InChIInChI=1S/C17H27N3O2Si/c1-13-16(15-7-6-14(18)10-17(15)21-2)11-20(19-13)12-22-8-9-23(3,4)5/h6-7,10-11H,8-9,12,18H2,1-5H3
InChIKeyHQHWPJCVXCCJDQ-UHFFFAOYSA-N
MW333.51 g/mol
LogP3.76
Rot. Bonds7

About 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline

3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline (PubChem CID 150463736) has the molecular formula C17H27N3O2Si and a molecular weight of 333.51 g/mol. Its IUPAC name is 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
PubChem CID150463736
Molecular FormulaC17H27N3O2Si
Molecular Weight333.51 g/mol
Exact Mass333.19
IUPAC Name3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
SMILESCOc1cc(N)ccc1-c1cn(COCC[Si](C)(C)C)nc1C
InChIInChI=1S/C17H27N3O2Si/c1-13-16(15-7-6-14(18)10-17(15)21-2)11-20(19-13)12-22-8-9-23(3,4)5/h6-7,10-11H,8-9,12,18H2,1-5H3
InChIKeyHQHWPJCVXCCJDQ-UHFFFAOYSA-N
XLogP3.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 177157501
N-[1-[3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 175155608
2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874605
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162718102
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
ethyl 3-prop-1-ynyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 163216453
3-[3-[[8-(4-aminophenyl)-2-methoxy-6,11-dioxo-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methyl-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 165063237
2-[[2-(1,4-dimethylpyrazol-5-yl)-5-nitrophenoxy]methoxy]ethyl-trimethylsilane;4-(1,4-dimethylpyrazol-5-yl)-3-(2-trimethylsilylethoxymethoxy)aniline
CID 165087747
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
ethyl 3-(5-chloro-2-cyclopropyloxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 70496280

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
The IUPAC name of 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline (CID 150463736) is 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline.
What is the SMILES notation for 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
The canonical SMILES for 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline is COc1cc(N)ccc1-c1cn(COCC[Si](C)(C)C)nc1C.
What is the InChIKey of 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
The InChIKey is HQHWPJCVXCCJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2Si/c1-13-16(15-7-6-14(18)10-17(15)21-2)11-20(19-13)12-22-8-9-23(3,4)5/h6-7,10-11H,8-9,12,18H2,1-5H3.
What are the key properties of 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline has a molecular weight of 333.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline is sourced from PubChem (CID 150463736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).