(1-Methyl-1H-pyrazol-5-yl)boronic acid

C4H7BN2O2CAS 720702-41-0125.92 g/mol

Open in Covalent MOL file
BNNHOHO
Boronic acid

Properties

Molecular formula
C4H7BN2O2
Molar mass
125.92 g/mol
Exact mass
126.0601 Da
logP
-1.90Crippen estimate
Polar surface area
58.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
720702-41-0
SMILES
B(C1=CC=NN1C)(O)O
InChIKey
MGNBKNBEZGLHNF-UHFFFAOYSA-N
InChI
InChI=1S/C4H7BN2O2/c1-7-4(5(8)9)2-3-6-7/h2-3,8-9H,1H3

Weigh it out

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

Names and synonyms

1 names
  • (1-Methyl-1H-pyrazol-5-yl)-boronic acid

Work with (1-Methyl-1H-pyrazol-5-yl)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-Methyl-1H-pyrazol-5-ol33641-15-550 % similar 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester847818-74-048 % similar 1,5-Dimethylpyrazole694-31-546 % similar 1-Methyl-1H-pyrazole-5-methanol84547-61-545 % similar 1-Methyl-1H-pyrazol-5-amine1192-21-845 % similar 5-Iodo-1-methyl-1H-pyrazole34091-51-545 % similar 1H-Pyrazole,5-bromo-1-methyl-(9ci)361476-01-945 % similar 1-Methyl-1H-indazole-6-boronic acid1150114-80-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-7

Elsewhere

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