potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate

C25H47BKN3O7Si — CID 175723588

IUPACpotassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate
SMILESCC(=O)[O-].CC(C)(C)OC(=O)NCC(Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1)O[Si](C)(C)C(C)(C)C.[K+]
InChIInChI=1S/C23H44BN3O5Si.C2H4O2.K/c1-20(2,3)29-19(28)25-14-18(30-33(11,12)21(4,5)6)16-27-15-17(13-26-27)24-31-22(7,8)23(9,10)32-24;1-2(3)4;/h13,15,18H,14,16H2,1-12H3,(H,25,28);1H3,(H,3,4);/q;;+1/p-1
InChIKeyDJURRBJVCSHXPY-UHFFFAOYSA-M
MW579.66 g/mol
LogP-0.14
Rot. Bonds7

About potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate

potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate (PubChem CID 175723588) has the molecular formula C25H47BKN3O7Si and a molecular weight of 579.66 g/mol. Its IUPAC name is potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate.

Molecular Properties

Compound Namepotassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate
PubChem CID175723588
Molecular FormulaC25H47BKN3O7Si
Molecular Weight579.66 g/mol
Exact Mass579.29
IUPAC Namepotassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate
SMILESCC(=O)[O-].CC(C)(C)OC(=O)NCC(Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1)O[Si](C)(C)C(C)(C)C.[K+]
InChIInChI=1S/C23H44BN3O5Si.C2H4O2.K/c1-20(2,3)29-19(28)25-14-18(30-33(11,12)21(4,5)6)16-27-15-17(13-26-27)24-31-22(7,8)23(9,10)32-24;1-2(3)4;/h13,15,18H,14,16H2,1-12H3,(H,25,28);1H3,(H,3,4);/q;;+1/p-1
InChIKeyDJURRBJVCSHXPY-UHFFFAOYSA-M
XLogP-0.14
TPSA123.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.66
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate with MolForge

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Related Compounds

tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]benzoate
CID 137333342
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethane-1,1-diol
CID 163781917
tert-butyl N-[2,3-dihydroxy-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propyl]carbamate
CID 170833154
2,2-dimethyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]propanamide
CID 165152497
tert-butyl (4S)-2,2-dimethyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 142603673
tert-butyl (4R)-2,2-dimethyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 142603809
1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 2759392
tert-butyl 2-[(2R)-6-[1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazol-4-yl]-3,4-dihydro-2H-chromen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate
CID 174144982
tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethyl]carbamate
CID 123299559
tert-butyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]butoxy]acetate
CID 145261866

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate?
The IUPAC name of potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate (CID 175723588) is potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate.
What is the SMILES notation for potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate?
The canonical SMILES for potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate is CC(=O)[O-].CC(C)(C)OC(=O)NCC(Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1)O[Si](C)(C)C(C)(C)C.[K+].
What is the InChIKey of potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate?
The InChIKey is DJURRBJVCSHXPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H44BN3O5Si.C2H4O2.K/c1-20(2,3)29-19(28)25-14-18(30-33(11,12)21(4,5)6)16-27-15-17(13-26-27)24-31-22(7,8)23(9,10)32-24;1-2(3)4;/h13,15,18H,14,16H2,1-12H3,(H,25,28);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate?
potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate has a molecular weight of 579.66 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]carbamate;acetate is sourced from PubChem (CID 175723588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).