[4-(pyrazol-1-ylmethyl)phenyl]boronic acid

C10H11BN2O2 — CID 3698707

IUPAC[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C10H11BN2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7,14-15H,8H2
InChIKeyXIYRZIBHPJLCKG-UHFFFAOYSA-N
MW202.02 g/mol
LogP-0.39
Rot. Bonds3

About [4-(pyrazol-1-ylmethyl)phenyl]boronic acid

[4-(pyrazol-1-ylmethyl)phenyl]boronic acid (PubChem CID 3698707) has the molecular formula C10H11BN2O2 and a molecular weight of 202.02 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
PubChem CID3698707
Molecular FormulaC10H11BN2O2
Molecular Weight202.02 g/mol
Exact Mass202.09
IUPAC Name[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C10H11BN2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7,14-15H,8H2
InChIKeyXIYRZIBHPJLCKG-UHFFFAOYSA-N
XLogP-0.39
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24708552
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
CID 54863485
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]boronic acid?
The IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]boronic acid (CID 3698707) is [4-(pyrazol-1-ylmethyl)phenyl]boronic acid.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)phenyl]boronic acid?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)phenyl]boronic acid is OB(O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)phenyl]boronic acid?
The InChIKey is XIYRZIBHPJLCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7,14-15H,8H2.
What are the key properties of [4-(pyrazol-1-ylmethyl)phenyl]boronic acid?
[4-(pyrazol-1-ylmethyl)phenyl]boronic acid has a molecular weight of 202.02 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazol-1-ylmethyl)phenyl]boronic acid is sourced from PubChem (CID 3698707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).