chempirical

4-Bromo-1-methyl-1H-pyrazole

C4H5BrN2CAS 15803-02-8161.00 g/mol

Open in Covalent MOL file
NBrN
Aryl halide

Properties

Molecular formula
C4H5BrN2
Molar mass
161.00 g/mol
Exact mass
159.9636 Da
Boiling point
76–78 °C (at 18 Torr)
logP
1.18Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
15803-02-8
SMILES
Cn1cc(Br)cn1
InChIKey
IXJSDKIJPVSPKF-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1H-Pyrazole, 4-bromo-1-methyl-
  • Pyrazole, 4-bromo-1-methyl-
  • 4-Bromo-1-methylpyrazole
  • 1-Methyl-4-bromopyrazole

Work with 4-Bromo-1-methyl-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

1,4-Dimethylpyrazole1072-68-050 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-945 % similar (1-Methyl-1H-pyrazol-4-yl)methanol112029-98-843 % similar (1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-743 % similar 1-Methyl-4-nitro-1H-pyrazole3994-50-139 % similar 5-Bromo-2-methyl-2H-indazole465529-56-038 % similar 6-Bromo-2-methyl-2H-indazole590417-95-138 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-037 % similar

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

Same formula

5-Bromo-1-methyl-1H-imidazole1003-21-0 4-Bromo-3-methyl-1H-pyrazole13808-64-5 5-Bromo-2-methyl-1H-imidazole16265-11-5 2-Bromo-1-methyl-1H-imidazole16681-59-7

Elsewhere

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