chempirical

3-Iodo-1-methyl-1H-pyrazole

C4H5IN2CAS 92525-10-5208.00 g/mol

Open in Covalent MOL file
NNI
Aryl halide

Properties

Molecular formula
C4H5IN2
Molar mass
208.00 g/mol
Exact mass
207.9497 Da
logP
1.02Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 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
92525-10-5
SMILES
CN1C=CC(=N1)I
InChIKey
SITJXRWLFQGWCB-UHFFFAOYSA-N
InChI
InChI=1S/C4H5IN2/c1-7-3-2-4(5)6-7/h2-3H,1H3

Weigh it out

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Work with 3-Iodo-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

1H-Pyrazole,3-bromo-1-methyl-(9ci)151049-87-550 % similar 1,3-Dimethylpyrazole694-48-450 % similar 1-Methyl-1H-pyrazol-3-amine1904-31-048 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazole154471-65-543 % similar 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-039 % similar 1-Methyl-1H-pyrazole-3-sulfonyl chloride89501-90-639 % similar 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-237 % similar Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-137 % similar

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

Same formula

5-Iodo-1-methyl-1H-pyrazole34091-51-5 2-Iodo-1-methyl-1H-imidazole37067-95-1 1-Methyl-4-iodo-1H-pyrazole39806-90-1 4-Iodo-1-methyl-1H-imidazole71759-87-0 5-Iodo-1-methyl-1H-imidazole71759-88-1 5-Iodo-2-methyl-1H-imidazole73746-45-9

Elsewhere

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