(1-Methyl-1H-pyrazol-4-yl)boronic acid

C₄H₇BN₂O₂CAS 847818-55-7125.92 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

847818-55-7

SMILES

Cn1cc(B(O)O)cn1

InChIKey

RYGOBSYXIIUFOR-UHFFFAOYSA-N

InChI

InChI=1S/C4H7BN2O2/c1-7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(1-methyl-1H-pyrazol-4-yl)-
Boronic acid, (1-methyl-1H-pyrazol-4-yl)-
B-(1-Methyl-1H-pyrazol-4-yl)boronic acid
(1-Methyl-4-pyrazolyl)boronic acid
1-Methyl-4-pyrazoleboronic acid
1-Methyl-1H-pyrazole-4-boronic acid

Work with (1-Methyl-1H-pyrazol-4-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

1,4-Dimethylpyrazole1072-68-050 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-050 % similar (1-Methyl-1H-pyrazol-4-yl)methanol112029-98-844 % similar 4-Bromo-1-methyl-1H-pyrazole15803-02-843 % similar 1-Methyl-4-iodo-1H-pyrazole39806-90-143 % similar 1-Methyl-1H-pyrazol-4-ylamine69843-13-643 % similar 1-Benzyl-1H-pyrazole-4-boronic acid852362-22-243 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-941 % similar

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

Same formula

(1-Methyl-1H-pyrazol-5-yl)boronic acid720702-41-0

Elsewhere

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