2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C18H26N2OSi — CID 140810687

IUPAC2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C3CC3)c2)cn1
InChIInChI=1S/C18H26N2OSi/c1-22(2,3)10-9-21-14-20-13-18(12-19-20)17-6-4-5-16(11-17)15-7-8-15/h4-6,11-13,15H,7-10,14H2,1-3H3
InChIKeyZCMQOXWSKOIPLA-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.74
Rot. Bonds7

About 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140810687) has the molecular formula C18H26N2OSi and a molecular weight of 314.51 g/mol. Its IUPAC name is 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140810687
Molecular FormulaC18H26N2OSi
Molecular Weight314.51 g/mol
Exact Mass314.18
IUPAC Name2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C3CC3)c2)cn1
InChIInChI=1S/C18H26N2OSi/c1-22(2,3)10-9-21-14-20-13-18(12-19-20)17-6-4-5-16(11-17)15-7-8-15/h4-6,11-13,15H,7-10,14H2,1-3H3
InChIKeyZCMQOXWSKOIPLA-UHFFFAOYSA-N
XLogP4.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140810687) is 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2cccc(C3CC3)c2)cn1.
What is the InChIKey of 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZCMQOXWSKOIPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OSi/c1-22(2,3)10-9-21-14-20-13-18(12-19-20)17-6-4-5-16(11-17)15-7-8-15/h4-6,11-13,15H,7-10,14H2,1-3H3.
What are the key properties of 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 314.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140810687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).