ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate

C15H28N2O3Si — CID 123183262

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate
SMILESCCCn1nc(O[Si](C)(C)C(C)(C)C)cc1C(=O)OCC
InChIInChI=1S/C15H28N2O3Si/c1-8-10-17-12(14(18)19-9-2)11-13(16-17)20-21(6,7)15(3,4)5/h11H,8-10H2,1-7H3
InChIKeyZEVKSKALVOPQJX-UHFFFAOYSA-N
MW312.49 g/mol
LogP3.85
Rot. Bonds6

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate (PubChem CID 123183262) has the molecular formula C15H28N2O3Si and a molecular weight of 312.49 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate
PubChem CID123183262
Molecular FormulaC15H28N2O3Si
Molecular Weight312.49 g/mol
Exact Mass312.19
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate
SMILESCCCn1nc(O[Si](C)(C)C(C)(C)C)cc1C(=O)OCC
InChIInChI=1S/C15H28N2O3Si/c1-8-10-17-12(14(18)19-9-2)11-13(16-17)20-21(6,7)15(3,4)5/h11H,8-10H2,1-7H3
InChIKeyZEVKSKALVOPQJX-UHFFFAOYSA-N
XLogP3.85
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate
CID 170618769
ethyl 3-chloro-1-propylpyrazole-5-carboxylate
CID 139809067
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
CID 112727118
ethyl 1-(2-bromoethyl)-3-(3,5-difluorophenyl)pyrazole-5-carboxylate
CID 171367380
ethyl 3-tert-butyl-1-(2,2-difluoroethyl)pyrazole-5-carboxylate
CID 130229665
ethyl 3-tert-butyl-1-(cyclopropylmethyl)pyrazole-5-carboxylate
CID 59588876
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone
CID 170618008
ethyl 1-[(4-bromophenyl)methyl]-3-tert-butylpyrazole-5-carboxylate
CID 162420904
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate
CID 154697636

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate (CID 123183262) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate is CCCn1nc(O[Si](C)(C)C(C)(C)C)cc1C(=O)OCC.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate?
The InChIKey is ZEVKSKALVOPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3Si/c1-8-10-17-12(14(18)19-9-2)11-13(16-17)20-21(6,7)15(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate has a molecular weight of 312.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate is sourced from PubChem (CID 123183262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).