1H-Pyrazole-5-boronic acid

C₃H₅BN₂O₂CAS 376584-63-3111.89 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

376584-63-3

SMILES

B(C1=CC=NN1)(O)O

InChIKey

NEUWPDLMDVINSN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Pyrazole-3-boronic acid

Work with 1H-Pyrazole-5-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

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane)-pyrazole844501-71-944 % similar 2-Pyrrolylboronic acid763120-43-039 % similar (1H-Pyrazol-3-yl)methanol23585-49-138 % similar 3-Chloro-1H-pyrazole14339-33-437 % similar 3-Bromo-1H-pyrazole14521-80-337 % similar Pyridine-4-boronic acid1692-15-537 % similar 3-Iodo-1H-pyrazole4522-35-437 % similar 1H-Indazole-5-boronic acid338454-14-135 % similar

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

Same formula

1H-Pyrazole-4-boronic acid763120-58-7

Elsewhere

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