4-Iodo-3,5-dimethyl-1H-pyrazole

C5H7IN2CAS 2033-45-6222.03 g/mol

Open in Covalent MOL file
NNHI
Aryl halide

Properties

Molecular formula
C5H7IN2
Molar mass
222.03 g/mol
Exact mass
221.9654 Da
Melting point
137 °C
logP
1.63Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2033-45-6
SMILES
Cc1n[nH]c(C)c1I
InChIKey
MZZXIXHKDJNBJQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)

Weigh it out

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Names and synonyms

6 names
  • 4-Iodo-3,5-dimethylpyrazole
  • NSC 100887
  • 3,5-Dimethyl-4-iodopyrazole
  • 3,5-Dimethyl-4-iodo-1H-pyrazole
  • 1H-Pyrazole, 4-iodo-3,5-dimethyl-
  • Pyrazole, 4-iodo-3,5-dimethyl-

Work with 4-Iodo-3,5-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

4-Bromo-3,5-dimethylpyrazole3398-16-148 % similar 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-939 % similar 3,5-Dimethyl-4-nitropyrazole14531-55-639 % similar 3,5-Dimethylpyrazole-4-boronic acid, pinacol ester857530-80-437 % similar 4-Iodo-3,5-dimethylisoxazole10557-85-433 % similar 3-Methyl-1H-indazole3176-62-331 % similar 3,4-Dimethylpyrazole2820-37-331 % similar 2-(3,5-Dimethyl-1H-pyrazol-4-yl)benzoic acid321309-43-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Aminopyridinium iodide6295-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook