2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide

C₇H₁₁BrN₄OCAS 175137-56-1247.10 g/mol

Open in Covalent MOL file

Amide Aryl halide Primary amine

Properties

Molecular formula: C₇H₁₁BrN₄O
Molar mass: 247.10 g/mol
Exact mass: 246.0116 Da
logP: 0.25Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175137-56-1

SMILES

CC1=C(C(=NN1CC(=O)NN)C)Br

InChIKey

CIJCDTVASLBRFQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(11-4)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)

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Names and synonyms

1 names

2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanohydrazide

Work with 2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide

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

5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-furancarboxylic acid306935-28-444 % similar 4-Bromo-1,3,5-trimethylpyrazole15801-69-140 % similar 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid5775-88-233 % similar 2-(4-Methoxyphenyl)acetohydrazide57676-49-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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