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

C10H11BN2O2CAS 852362-22-2202.02 g/mol

Open in Covalent MOL file
BNNOHOH
Boronic acid

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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 6-Benzyloxypyridine-3-boronic acid929250-35-141 % similar Phenylboronic acid98-80-641 % similar 4-Benzyloxy-phenylboronic acid146631-00-739 % similar Tris(benzyltriazolylmethyl)amine510758-28-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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