1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate

C14H26N2O4Si — CID 174156302

IUPAC1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate
SMILESCOCc1cc(C(=O)OC(C)O[Si](C)(C)C(C)(C)C)n[nH]1
InChIInChI=1S/C14H26N2O4Si/c1-10(20-21(6,7)14(2,3)4)19-13(17)12-8-11(9-18-5)15-16-12/h8,10H,9H2,1-7H3,(H,15,16)
InChIKeyAWVLYQDPYZWJNV-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.08
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate

1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate (PubChem CID 174156302) has the molecular formula C14H26N2O4Si and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate
PubChem CID174156302
Molecular FormulaC14H26N2O4Si
Molecular Weight314.46 g/mol
Exact Mass314.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate
SMILESCOCc1cc(C(=O)OC(C)O[Si](C)(C)C(C)(C)C)n[nH]1
InChIInChI=1S/C14H26N2O4Si/c1-10(20-21(6,7)14(2,3)4)19-13(17)12-8-11(9-18-5)15-16-12/h8,10H,9H2,1-7H3,(H,15,16)
InChIKeyAWVLYQDPYZWJNV-UHFFFAOYSA-N
XLogP3.08
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate (CID 174156302) is 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate is COCc1cc(C(=O)OC(C)O[Si](C)(C)C(C)(C)C)n[nH]1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate?
The InChIKey is AWVLYQDPYZWJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4Si/c1-10(20-21(6,7)14(2,3)4)19-13(17)12-8-11(9-18-5)15-16-12/h8,10H,9H2,1-7H3,(H,15,16).
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate?
1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate has a molecular weight of 314.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 174156302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).