1H-Pyrazole-4-boronic acid

C₃H₅BN₂O₂CAS 763120-58-7111.89 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₅BN₂O₂
Molar mass: 111.89 g/mol
Exact mass: 112.0444 Da
logP: -1.91Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

763120-58-7

SMILES

B(C1=CNN=C1)(O)O

InChIKey

KEZNMOUMHOZFRA-UHFFFAOYSA-N

InChI

InChI=1S/C3H5BN2O2/c7-4(8)3-1-5-6-2-3/h1-2,7-8H,(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1H-Pyrazole-4-boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2-Aminopyrimidin-5-yl)boronic acid936250-22-545 % similar 4-Pyrazoleboronic acid pinacol ester269410-08-444 % similar (Pyrimidin-5-yl)boronic acid109299-78-742 % similar 1H-Indazole-5-boronic acid338454-14-139 % similar 6-Indazolyboronic acid885068-10-039 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-439 % similar 1H-Pyrrol-3-ylboronic acid763120-55-439 % similar 1,4-Benzenediboronic acid4612-26-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1H-Pyrazole-5-boronic acid376584-63-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook