2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane

C17H22N2O2Si — CID 171440005

IUPAC2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane
SMILESCOCCOc1ccc(-n2cc(C#C[Si](C)(C)C)cn2)cc1
InChIInChI=1S/C17H22N2O2Si/c1-20-10-11-21-17-7-5-16(6-8-17)19-14-15(13-18-19)9-12-22(2,3)4/h5-8,13-14H,10-11H2,1-4H3
InChIKeyPEXWNNLCORDFCD-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.13
Rot. Bonds5

About 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane

2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane (PubChem CID 171440005) has the molecular formula C17H22N2O2Si and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane
PubChem CID171440005
Molecular FormulaC17H22N2O2Si
Molecular Weight314.46 g/mol
Exact Mass314.15
IUPAC Name2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane
SMILESCOCCOc1ccc(-n2cc(C#C[Si](C)(C)C)cn2)cc1
InChIInChI=1S/C17H22N2O2Si/c1-20-10-11-21-17-7-5-16(6-8-17)19-14-15(13-18-19)9-12-22(2,3)4/h5-8,13-14H,10-11H2,1-4H3
InChIKeyPEXWNNLCORDFCD-UHFFFAOYSA-N
XLogP3.13
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane
CID 171439950
1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 82284363
4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine
CID 71214484
2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11135721
4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole
CID 177250502
2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine
CID 117230526
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
1-but-1-ynyl-4-(2-methoxyethoxy)benzene
CID 118700048
4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 10912597
1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448
1-[4-(methoxymethyl)phenyl]pyrazol-4-amine
CID 117275949

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane (CID 171440005) is 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane is COCCOc1ccc(-n2cc(C#C[Si](C)(C)C)cn2)cc1.
What is the InChIKey of 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane?
The InChIKey is PEXWNNLCORDFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2Si/c1-20-10-11-21-17-7-5-16(6-8-17)19-14-15(13-18-19)9-12-22(2,3)4/h5-8,13-14H,10-11H2,1-4H3.
What are the key properties of 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane?
2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane has a molecular weight of 314.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 171440005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).