5-Bromo-1,3-dimethyl-1H-pyrazole

C₅H₇BrN₂CAS 5744-70-7175.03 g/mol

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Properties

Molecular formula: C₅H₇BrN₂
Molar mass: 175.03 g/mol
Exact mass: 173.9793 Da
Boiling point: 90 °C (at 30 Torr)
logP: 1.49Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

5744-70-7

SMILES

Cc1cc(Br)n(C)n1

InChIKey

MGDIZQXZNAILTO-UHFFFAOYSA-N

InChI

InChI=1S/C5H7BrN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3

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Names and synonyms

3 names

1H-Pyrazole, 5-bromo-1,3-dimethyl-
Pyrazole, 5-bromo-1,3-dimethyl-
5-Bromo-1,3-dimethylpyrazole

Work with 5-Bromo-1,3-dimethyl-1H-pyrazole

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-Chloro-1,3-dimethyl-1H-pyrazole54454-10-357 % similar 1,3,5-Trimethylpyrazole1072-91-956 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-152 % similar 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole852227-86-252 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-537 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-434 % similar 5-Amino-3-methyl-1-phenylpyrazole1131-18-632 % similar 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-131 % similar

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

Same formula

4-Bromo-3,5-dimethylpyrazole3398-16-1

Elsewhere

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