ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate

C16H30N2O3Si — CID 154697636

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c(O[Si](C)(C)C(C)(C)C)nn1C(C)C
InChIInChI=1S/C16H30N2O3Si/c1-10-20-15(19)13-12(4)14(17-18(13)11(2)3)21-22(8,9)16(5,6)7/h11H,10H2,1-9H3
InChIKeyRDIGKDPOPAMWRY-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.33
Rot. Bonds5

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate (PubChem CID 154697636) has the molecular formula C16H30N2O3Si and a molecular weight of 326.51 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate
PubChem CID154697636
Molecular FormulaC16H30N2O3Si
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c(O[Si](C)(C)C(C)(C)C)nn1C(C)C
InChIInChI=1S/C16H30N2O3Si/c1-10-20-15(19)13-12(4)14(17-18(13)11(2)3)21-22(8,9)16(5,6)7/h11H,10H2,1-9H3
InChIKeyRDIGKDPOPAMWRY-UHFFFAOYSA-N
XLogP4.33
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.33
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 3-amino-4-chloro-1-propan-2-ylpyrazole-5-carboxylate
CID 19619969
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
ethyl 3-methyl-4-nitro-1-propan-2-ylpyrazole-5-carboxylate
CID 135265179
ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219180
ethyl 3,4-dimethyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole-2-carboxylate
CID 118183327
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-propylpyrazole-5-carboxylate
CID 123183262
ethane;ethyl 1-fluorosulfanyl-3-methoxy-4-methylpyrazole-5-carboxylate
CID 155576745
ethyl 4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxylate
CID 24728986
5-O-tert-butyl 3-O-ethyl 2-propan-2-yl-7-(trifluoromethyl)-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 177302695
ethyl 3-tert-butyl-5-chloroimidazole-4-carboxylate
CID 146377817
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
ethyl 3-bromo-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxylate
CID 162358895

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate (CID 154697636) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate is CCOC(=O)c1c(C)c(O[Si](C)(C)C(C)(C)C)nn1C(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate?
The InChIKey is RDIGKDPOPAMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3Si/c1-10-20-15(19)13-12(4)14(17-18(13)11(2)3)21-22(8,9)16(5,6)7/h11H,10H2,1-9H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-propan-2-ylpyrazole-5-carboxylate has a molecular weight of 326.51 g/mol, XLogP of 4.33, 5 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-4-methyl-1-propan-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 154697636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).