[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid

C15H21BN2O3 — CID 83136882

IUPAC[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
SMILESCCC(C)n1ccc(COc2ccc(B(O)O)c(C)c2)n1
InChIInChI=1S/C15H21BN2O3/c1-4-12(3)18-8-7-13(17-18)10-21-14-5-6-15(16(19)20)11(2)9-14/h5-9,12,19-20H,4,10H2,1-3H3
InChIKeyUSKPHEMMWCOFHV-UHFFFAOYSA-N
MW288.16 g/mol
LogP1.42
Rot. Bonds6

About [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid

[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid (PubChem CID 83136882) has the molecular formula C15H21BN2O3 and a molecular weight of 288.16 g/mol. Its IUPAC name is [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid.

Molecular Properties

Compound Name[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
PubChem CID83136882
Molecular FormulaC15H21BN2O3
Molecular Weight288.16 g/mol
Exact Mass288.16
IUPAC Name[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
SMILESCCC(C)n1ccc(COc2ccc(B(O)O)c(C)c2)n1
InChIInChI=1S/C15H21BN2O3/c1-4-12(3)18-8-7-13(17-18)10-21-14-5-6-15(16(19)20)11(2)9-14/h5-9,12,19-20H,4,10H2,1-3H3
InChIKeyUSKPHEMMWCOFHV-UHFFFAOYSA-N
XLogP1.42
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]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

1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
CID 107171387
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-5-fluorophenyl]boronic acid
CID 81313801
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]-trifluoroboranuide
CID 113240237
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
[2-methyl-4-(2-methylbutoxy)phenyl]boronic acid
CID 83141077
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
[5-bromo-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methylphenyl]methanol
CID 115962229

Frequently Asked Questions

What is the IUPAC name of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid?
The IUPAC name of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid (CID 83136882) is [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid.
What is the SMILES notation for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid?
The canonical SMILES for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid is CCC(C)n1ccc(COc2ccc(B(O)O)c(C)c2)n1.
What is the InChIKey of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid?
The InChIKey is USKPHEMMWCOFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BN2O3/c1-4-12(3)18-8-7-13(17-18)10-21-14-5-6-15(16(19)20)11(2)9-14/h5-9,12,19-20H,4,10H2,1-3H3.
What are the key properties of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid?
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid has a molecular weight of 288.16 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid is sourced from PubChem (CID 83136882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).