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

C₅H₇IN₂CAS 2033-45-6222.03 g/mol

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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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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)

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

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 4-Iodo-3,5-dimethylisoxazole10557-85-433 % similar 3,4-Dimethylpyrazole2820-37-331 % 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