1-Methyl-4-iodo-1H-pyrazole

C4H5IN2CAS 39806-90-1208.00 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 44 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
39806-90-1
SMILES
CN1C=C(C=N1)I
InChIKey
RSDRDHPLXWMTRJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5IN2/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

1 names
  • 4-Iodo-1-methyl-1H-pyrazole

Work with 1-Methyl-4-iodo-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 4-Bromo-1-methyl-1H-pyrazole15803-02-848 % similar 1-Methyl-1H-pyrazol-4-ylamine69843-13-648 % 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 1-Methyl-1H-pyrazole-4-carboxylic acid5952-92-139 % 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 4-Iodo-1-methyl-1H-imidazole71759-87-0 5-Iodo-1-methyl-1H-imidazole71759-88-1 5-Iodo-2-methyl-1H-imidazole73746-45-9 3-Iodo-1-methyl-1H-pyrazole92525-10-5

Elsewhere

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