1-Benzyl-1H-pyrazole-4-boronic acid

C₁₀H₁₁BN₂O₂CAS 852362-22-2202.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁BN₂O₂
Molar mass: 202.02 g/mol
Exact mass: 202.0914 Da
logP: -0.39Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

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

852362-22-2

SMILES

B(C1=CN(N=C1)CC2=CC=CC=C2)(O)O

InChIKey

JXNAIAOHYPDQQC-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2

Weigh it out

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Work with 1-Benzyl-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

1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-45-157 % similar 4-Iodo-1-(phenylmethyl)-1H-pyrazole50877-42-454 % similar 1-Benzyl-1H-pyrazole-4-carbaldehyde63874-95-350 % similar (1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-743 % similar Phenylboronic acid98-80-641 % similar 4-Benzyloxy-phenylboronic acid146631-00-739 % similar Tris(benzyltriazolylmethyl)amine510758-28-837 % similar 3-Benzyloxy-phenylboronic acid156682-54-136 % similar

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

Elsewhere

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