tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol

C77H122Cl4N16O18SSi5 — CID 162224996

IUPACtert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol
SMILESCC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(C)OC(=O)n1ccc(OCC[Si](C)(C)C)n1.CCOC(=O)c1ccc(-n2ccc(OCC[Si](C)(C)C)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.C[Si](C)(C)CCO.C[Si](C)(C)CCOc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.C[Si](C)(C)CCOc1ccn[nH]1.Cc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C16H22ClN3O3Si.C14H18ClN3O3Si.C13H24N2O3Si.C8H7Cl2NO2.C8H12N2O3.C8H16N2OSi.C5H9N3O2S.C5H14OSi/c1-5-22-16(21)12-6-7-13(18-15(12)17)20-9-8-14(19-20)23-10-11-24(2,3)4;1-22(2,3)9-8-21-12-6-7-18(17-12)11-5-4-10(14(19)20)13(15)16-11;1-13(2,3)18-12(16)15-8-7-11(14-15)17-9-10-19(4,5)6;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-12(2,3)7-6-11-8-4-5-9-10-8;1-4-5(11(6,9)10)3-8(2)7-4;1-7(2,3)5-4-6/h6-9H,5,10-11H2,1-4H3;4-7H,8-9H2,1-3H3,(H,19,20);7-8H,9-10H2,1-6H3;3-4H,2H2,1H3;4-5H,1-3H3,(H,9,11);4-5H,6-7H2,1-3H3,(H,9,10);3H,1-2H3,(H2,6,9,10);6H,4-5H2,1-3H3
InChIKeyZUQDGEMHYPYHDS-UHFFFAOYSA-N
MW1874.23 g/mol
LogP16.88
Rot. Bonds26

About tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol

tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol (PubChem CID 162224996) has the molecular formula C77H122Cl4N16O18SSi5 and a molecular weight of 1874.23 g/mol. Its IUPAC name is tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol.

Molecular Properties

Compound Nametert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol
PubChem CID162224996
Molecular FormulaC77H122Cl4N16O18SSi5
Molecular Weight1874.23 g/mol
Exact Mass1870.64
IUPAC Nametert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol
SMILESCC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(C)OC(=O)n1ccc(OCC[Si](C)(C)C)n1.CCOC(=O)c1ccc(-n2ccc(OCC[Si](C)(C)C)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.C[Si](C)(C)CCO.C[Si](C)(C)CCOc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.C[Si](C)(C)CCOc1ccn[nH]1.Cc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C16H22ClN3O3Si.C14H18ClN3O3Si.C13H24N2O3Si.C8H7Cl2NO2.C8H12N2O3.C8H16N2OSi.C5H9N3O2S.C5H14OSi/c1-5-22-16(21)12-6-7-13(18-15(12)17)20-9-8-14(19-20)23-10-11-24(2,3)4;1-22(2,3)9-8-21-12-6-7-18(17-12)11-5-4-10(14(19)20)13(15)16-11;1-13(2,3)18-12(16)15-8-7-11(14-15)17-9-10-19(4,5)6;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-12(2,3)7-6-11-8-4-5-9-10-8;1-4-5(11(6,9)10)3-8(2)7-4;1-7(2,3)5-4-6/h6-9H,5,10-11H2,1-4H3;4-7H,8-9H2,1-3H3,(H,19,20);7-8H,9-10H2,1-6H3;3-4H,2H2,1H3;4-5H,1-3H3,(H,9,11);4-5H,6-7H2,1-3H3,(H,9,10);3H,1-2H3,(H2,6,9,10);6H,4-5H2,1-3H3
InChIKeyZUQDGEMHYPYHDS-UHFFFAOYSA-N
XLogP16.88
TPSA436.23 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.23
LogP ≤ 516.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol?
The IUPAC name of tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol (CID 162224996) is tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol.
What is the SMILES notation for tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol?
The canonical SMILES for tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol is CC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(C)OC(=O)n1ccc(OCC[Si](C)(C)C)n1.CCOC(=O)c1ccc(-n2ccc(OCC[Si](C)(C)C)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.C[Si](C)(C)CCO.C[Si](C)(C)CCOc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.C[Si](C)(C)CCOc1ccn[nH]1.Cc1nn(C)cc1S(N)(=O)=O.
What is the InChIKey of tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol?
The InChIKey is ZUQDGEMHYPYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3Si.C14H18ClN3O3Si.C13H24N2O3Si.C8H7Cl2NO2.C8H12N2O3.C8H16N2OSi.C5H9N3O2S.C5H14OSi/c1-5-22-16(21)12-6-7-13(18-15(12)17)20-9-8-14(19-20)23-10-11-24(2,3)4;1-22(2,3)9-8-21-12-6-7-18(17-12)11-5-4-10(14(19)20)13(15)16-11;1-13(2,3)18-12(16)15-8-7-11(14-15)17-9-10-19(4,5)6;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-12(2,3)7-6-11-8-4-5-9-10-8;1-4-5(11(6,9)10)3-8(2)7-4;1-7(2,3)5-4-6/h6-9H,5,10-11H2,1-4H3;4-7H,8-9H2,1-3H3,(H,19,20);7-8H,9-10H2,1-6H3;3-4H,2H2,1H3;4-5H,1-3H3,(H,9,11);4-5H,6-7H2,1-3H3,(H,9,10);3H,1-2H3,(H2,6,9,10);6H,4-5H2,1-3H3.
What are the key properties of tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol?
tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol has a molecular weight of 1874.23 g/mol, XLogP of 16.88, 26 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-(2-trimethylsilylethoxy)pyrazole-1-carboxylate;2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;ethyl 2-chloro-6-[3-(2-trimethylsilylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;trimethyl-[2-(1H-pyrazol-5-yloxy)ethyl]silane;2-trimethylsilylethanol is sourced from PubChem (CID 162224996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).