B(C1=CC=NN1)(O)O
CAS: 376584-63-3
Nombre: 1H-pyrazol-5-ylboronic acid
SMILES: B(C1=CC=NN1)(O)O

Molecular Processing

Molecular formula
C3H5BN2O2
Molecular weight
111.9
Exact mass
112.0444
XLogP
-1.91
TPSA
69.14
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
28.41

Supplementary Information

InChIKey: NEUWPDLMDVINSN-UHFFFAOYSA-N
Sinónimos
1H-PYRAZOLE-5-BORONIC ACIDRefChem:439094670-423-9376584-63-3(1H-Pyrazol-3-yl)boronic acidPyrazole-3-boronic acid1H-Pyrazol-3-ylboronic acid(1H-pyrazol-5-yl)boronic acid1H-pyrazol-5-ylboronic acid1H-Pyrazole-3-Boronic Acid724710-02-51239363-47-31H-Pyrazol-3-yl boronic acidpyrazol-3-ylboronic acid1H-pyrazol-5-yl-5-boronic acid(1H-Pyrazol-5-yl)boronicacidMFCD07368247CHEMBL2071020boronic acid, 1H-pyrazol-5-yl-MFCD02020768Boronic acid, 1H-pyrazol-3-yl-pyrazole-3-boronicpyrazoleboronic acidpyrazole boronic acid3-Pyrazoleboronicacid3-pyrazole boronic acid5-pyrazole boronic acidpyrazole-5-boronic acid1H-pyrazole boronic acid1H-pyrazol-3-boronic acid
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