potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate

C24H41KN8O8Si2 — CID 158518942

IUPACpotassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)C1=NN=CC1.COC(=O)c1nncn1COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cnnc1C(=O)[O-].[K+]
InChIInChI=1S/C10H19N3O3Si.C9H17N3O3Si.C5H6N2O2.K/c1-15-10(14)9-12-11-7-13(9)8-16-5-6-17(2,3)4;1-16(2,3)5-4-15-7-12-6-10-11-8(12)9(13)14;1-9-5(8)4-2-3-6-7-4;/h7H,5-6,8H2,1-4H3;6H,4-5,7H2,1-3H3,(H,13,14);3H,2H2,1H3;/q;;;+1/p-1
InChIKeyHLZCLVCRTYTPSL-UHFFFAOYSA-M
MW664.91 g/mol
LogP-1.68
Rot. Bonds13

About potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate

potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate (PubChem CID 158518942) has the molecular formula C24H41KN8O8Si2 and a molecular weight of 664.91 g/mol. Its IUPAC name is potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Namepotassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate
PubChem CID158518942
Molecular FormulaC24H41KN8O8Si2
Molecular Weight664.91 g/mol
Exact Mass664.22
IUPAC Namepotassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)C1=NN=CC1.COC(=O)c1nncn1COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cnnc1C(=O)[O-].[K+]
InChIInChI=1S/C10H19N3O3Si.C9H17N3O3Si.C5H6N2O2.K/c1-15-10(14)9-12-11-7-13(9)8-16-5-6-17(2,3)4;1-16(2,3)5-4-15-7-12-6-10-11-8(12)9(13)14;1-9-5(8)4-2-3-6-7-4;/h7H,5-6,8H2,1-4H3;6H,4-5,7H2,1-3H3,(H,13,14);3H,2H2,1H3;/q;;;+1/p-1
InChIKeyHLZCLVCRTYTPSL-UHFFFAOYSA-M
XLogP-1.68
TPSA197.33 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.91
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate with MolForge

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Related Compounds

potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 160723156
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
methyl 4-(2-hydroxy-3-oxopropyl)-1,2,4-triazole-3-carboxylate
CID 173438684
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
methyl 3-amino-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 142755280
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397

Frequently Asked Questions

What is the IUPAC name of potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate?
The IUPAC name of potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate (CID 158518942) is potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate?
The canonical SMILES for potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate is COC(=O)C1=NN=CC1.COC(=O)c1nncn1COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cnnc1C(=O)[O-].[K+].
What is the InChIKey of potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate?
The InChIKey is HLZCLVCRTYTPSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N3O3Si.C9H17N3O3Si.C5H6N2O2.K/c1-15-10(14)9-12-11-7-13(9)8-16-5-6-17(2,3)4;1-16(2,3)5-4-15-7-12-6-10-11-8(12)9(13)14;1-9-5(8)4-2-3-6-7-4;/h7H,5-6,8H2,1-4H3;6H,4-5,7H2,1-3H3,(H,13,14);3H,2H2,1H3;/q;;;+1/p-1.
What are the key properties of potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate?
potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate has a molecular weight of 664.91 g/mol, XLogP of -1.68, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 158518942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).