ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate

C9H16N2O2Si — CID 11975148

IUPACethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc([Si](C)(C)C)[nH]n1
InChIInChI=1S/C9H16N2O2Si/c1-5-13-9(12)7-6-8(11-10-7)14(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKeyRXCDGYSBSBEJHK-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.13
Rot. Bonds3

About ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate

ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate (PubChem CID 11975148) has the molecular formula C9H16N2O2Si and a molecular weight of 212.32 g/mol. Its IUPAC name is ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
PubChem CID11975148
Molecular FormulaC9H16N2O2Si
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Nameethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc([Si](C)(C)C)[nH]n1
InChIInChI=1S/C9H16N2O2Si/c1-5-13-9(12)7-6-8(11-10-7)14(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKeyRXCDGYSBSBEJHK-UHFFFAOYSA-N
XLogP1.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate (CID 11975148) is ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc([Si](C)(C)C)[nH]n1.
What is the InChIKey of ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate?
The InChIKey is RXCDGYSBSBEJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2Si/c1-5-13-9(12)7-6-8(11-10-7)14(2,3)4/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate?
ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate has a molecular weight of 212.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 11975148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).