chempirical

4-Iodopyrazole

C3H3IN2CAS 3469-69-0193.98 g/mol

Open in Covalent MOL file
INNH
Aryl halide

Properties

Molecular formula
C3H3IN2
Molar mass
193.98 g/mol
Exact mass
193.9341 Da
Melting point
108–110 °C
logP
1.01Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
3469-69-0
SMILES
Ic1cn[nH]c1
InChIKey
LLNQWPTUJJYTTE-UHFFFAOYSA-N
InChI
InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

Weigh it out

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

Names and synonyms

3 names
  • 1H-Pyrazole, 4-iodo-
  • Pyrazole, 4-iodo-
  • 4-Iodo-1H-pyrazole

Work with 4-Iodopyrazole

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-Di(1H-pyrazol-4-yl)benzene1036248-62-042 % similar 1,3,5-Tris(pyrazol-4-yl)benzene1325728-09-342 % similar 4-Chloropyrazole15878-00-942 % similar 4-Bromopyrazole2075-45-842 % similar 1H-Pyrazol-4-amine28466-26-442 % similar 4-Methylpyrazole7554-65-642 % similar 5-Iodo-2-pyrimidinamine1445-39-239 % similar 4-Nitropyrazole2075-46-938 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook