methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate

C35H44N8O6Si — CID 159062538

IUPACmethyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
SMILESCCCn1cc(-c2ccc3c(c2)c(C(=O)OC)nn3COCC[Si](C)(C)C)cn1.COC(=O)c1n[nH]c2ccc(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C21H30N4O3Si.C14H14N4O3/c1-6-9-24-14-17(13-22-24)16-7-8-19-18(12-16)20(21(26)27-2)23-25(19)15-28-10-11-29(3,4)5;1-21-14(20)13-11-6-9(2-3-12(11)16-17-13)10-7-15-18(8-10)4-5-19/h7-8,12-14H,6,9-11,15H2,1-5H3;2-3,6-8,19H,4-5H2,1H3,(H,16,17)
InChIKeyJYQNEPZUMIPWHE-UHFFFAOYSA-N
MW700.87 g/mol
LogP5.61
Rot. Bonds13

About methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate

methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate (PubChem CID 159062538) has the molecular formula C35H44N8O6Si and a molecular weight of 700.87 g/mol. Its IUPAC name is methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
PubChem CID159062538
Molecular FormulaC35H44N8O6Si
Molecular Weight700.87 g/mol
Exact Mass700.32
IUPAC Namemethyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
SMILESCCCn1cc(-c2ccc3c(c2)c(C(=O)OC)nn3COCC[Si](C)(C)C)cn1.COC(=O)c1n[nH]c2ccc(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C21H30N4O3Si.C14H14N4O3/c1-6-9-24-14-17(13-22-24)16-7-8-19-18(12-16)20(21(26)27-2)23-25(19)15-28-10-11-29(3,4)5;1-21-14(20)13-11-6-9(2-3-12(11)16-17-13)10-7-15-18(8-10)4-5-19/h7-8,12-14H,6,9-11,15H2,1-5H3;2-3,6-8,19H,4-5H2,1H3,(H,16,17)
InChIKeyJYQNEPZUMIPWHE-UHFFFAOYSA-N
XLogP5.61
TPSA164.20 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.87
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol
CID 165127433
N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 66854578
ethyl 4-[3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzoate
CID 156792710
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
CID 175663715
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 175308979

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate?
The IUPAC name of methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate (CID 159062538) is methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate?
The canonical SMILES for methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate is CCCn1cc(-c2ccc3c(c2)c(C(=O)OC)nn3COCC[Si](C)(C)C)cn1.COC(=O)c1n[nH]c2ccc(-c3cnn(CCO)c3)cc12.
What is the InChIKey of methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate?
The InChIKey is JYQNEPZUMIPWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3Si.C14H14N4O3/c1-6-9-24-14-17(13-22-24)16-7-8-19-18(12-16)20(21(26)27-2)23-25(19)15-28-10-11-29(3,4)5;1-21-14(20)13-11-6-9(2-3-12(11)16-17-13)10-7-15-18(8-10)4-5-19/h7-8,12-14H,6,9-11,15H2,1-5H3;2-3,6-8,19H,4-5H2,1H3,(H,16,17).
What are the key properties of methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate?
methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate has a molecular weight of 700.87 g/mol, XLogP of 5.61, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate is sourced from PubChem (CID 159062538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).