[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid

C12H23BN2O3Si — CID 170903552

IUPAC[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid
SMILESC[Si](C)(C)CCOCn1nc(B(O)O)cc1C1CC1
InChIInChI=1S/C12H23BN2O3Si/c1-19(2,3)7-6-18-9-15-11(10-4-5-10)8-12(14-15)13(16)17/h8,10,16-17H,4-7,9H2,1-3H3
InChIKeyVQUCNKSRXZDQNS-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.75
Rot. Bonds7

About [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid

[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid (PubChem CID 170903552) has the molecular formula C12H23BN2O3Si and a molecular weight of 282.22 g/mol. Its IUPAC name is [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid.

Molecular Properties

Compound Name[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid
PubChem CID170903552
Molecular FormulaC12H23BN2O3Si
Molecular Weight282.22 g/mol
Exact Mass282.16
IUPAC Name[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid
SMILESC[Si](C)(C)CCOCn1nc(B(O)O)cc1C1CC1
InChIInChI=1S/C12H23BN2O3Si/c1-19(2,3)7-6-18-9-15-11(10-4-5-10)8-12(14-15)13(16)17/h8,10,16-17H,4-7,9H2,1-3H3
InChIKeyVQUCNKSRXZDQNS-UHFFFAOYSA-N
XLogP0.75
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171627565
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
CID 153483568
5-(oxolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
CID 174140306
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
CID 169122111
[(1S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] carbamate
CID 175555145
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol
CID 153483547
[(1R,3S)-3-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl] (4-nitrophenyl) carbonate
CID 171853407
3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde
CID 171529389
7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736066
6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 158798521
tert-butyl N-[(1R,3S)-3-[3-[(3-methylpyridazin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]cyclopentyl]carbamate
CID 171616920

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid?
The IUPAC name of [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid (CID 170903552) is [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid.
What is the SMILES notation for [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid?
The canonical SMILES for [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid is C[Si](C)(C)CCOCn1nc(B(O)O)cc1C1CC1.
What is the InChIKey of [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid?
The InChIKey is VQUCNKSRXZDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BN2O3Si/c1-19(2,3)7-6-18-9-15-11(10-4-5-10)8-12(14-15)13(16)17/h8,10,16-17H,4-7,9H2,1-3H3.
What are the key properties of [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid?
[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid has a molecular weight of 282.22 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid is sourced from PubChem (CID 170903552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).