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

C₄H₅IN₂CAS 39806-90-1208.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅IN₂
Molar mass: 208.00 g/mol
Exact mass: 207.9497 Da
logP: 1.02Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Elsewhere

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