4-Bromo-1-methyl-1H-pyrazol-5-amine

C4H6BrN3CAS 105675-85-2176.02 g/mol

Open in Covalent MOL file
NNBrNH2
Aryl halidePrimary amine

Properties

Molecular formula
C4H6BrN3
Molar mass
176.02 g/mol
Exact mass
174.9745 Da
logP
0.76Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
105675-85-2
SMILES
Cn1ncc(Br)c1N
InChIKey
ODFDZOQJRPDQDF-UHFFFAOYSA-N
InChI
InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3

Weigh it out

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Names and synonyms

4 names
  • 1H-Pyrazol-5-amine, 4-bromo-1-methyl-
  • 3-Amino-4-bromo-2-methylpyrazole
  • 5-Amino-4-bromo-1-methylpyrazole
  • 4-Bromo-2-methyl-2H-pyrazol-3-ylamine

Work with 4-Bromo-1-methyl-1H-pyrazol-5-amine

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-Amino-1-methyl-1H-pyrazole-4-carbonitrile5334-41-848 % similar 7-Bromo-1-methyl-1H-indazole1000576-59-944 % similar Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-239 % similar 5-Bromo-1-methyl-1H-indazole465529-57-135 % similar 1-Methyl-1H-indazol-5-amine50593-24-335 % similar 6-Bromo-1-methyl-1H-indazole590417-94-035 % similar 1-Methyl-1H-indazol-6-amine74728-65-735 % similar 1-Methyl-1H-pyrazol-5-amine1192-21-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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