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

C12H18N2Si — CID 154791919

IUPAC2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cnn(CC2CC2)c1
InChIInChI=1S/C12H18N2Si/c1-15(2,3)7-6-12-8-13-14(10-12)9-11-4-5-11/h8,10-11H,4-5,9H2,1-3H3
InChIKeyINGGLYCLPPKPRX-UHFFFAOYSA-N
MW218.38 g/mol
LogP2.52
Rot. Bonds2

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

2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane (PubChem CID 154791919) has the molecular formula C12H18N2Si and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane
PubChem CID154791919
Molecular FormulaC12H18N2Si
Molecular Weight218.38 g/mol
Exact Mass218.12
IUPAC Name2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cnn(CC2CC2)c1
InChIInChI=1S/C12H18N2Si/c1-15(2,3)7-6-12-8-13-14(10-12)9-11-4-5-11/h8,10-11H,4-5,9H2,1-3H3
InChIKeyINGGLYCLPPKPRX-UHFFFAOYSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane (CID 154791919) is 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cnn(CC2CC2)c1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane?
The InChIKey is INGGLYCLPPKPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2Si/c1-15(2,3)7-6-12-8-13-14(10-12)9-11-4-5-11/h8,10-11H,4-5,9H2,1-3H3.
What are the key properties of 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane?
2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane has a molecular weight of 218.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 154791919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).