4-Iodo-1-(phenylmethyl)-1H-pyrazole

C₁₀H₉IN₂CAS 50877-42-4284.10 g/mol

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Properties

Molecular formula: C₁₀H₉IN₂
Molar mass: 284.10 g/mol
Exact mass: 283.9810 Da
logP: 2.54Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

50877-42-4

SMILES

Ic1cnn(Cc2ccccc2)c1

InChIKey

PVEYRBGIYMWFPB-UHFFFAOYSA-N

InChI

InChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2

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

Names and synonyms

3 names

1H-Pyrazole, 4-iodo-1-(phenylmethyl)-
1-Benzyl-4-iodopyrazole
1-Benzyl-4-iodo-1H-pyrazole

Work with 4-Iodo-1-(phenylmethyl)-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-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-45-147 % similar Tris(benzyltriazolylmethyl)amine510758-28-840 % similar N-Benzylpyrrole2051-97-036 % similar 1-Benzylimidazole4238-71-534 % similar Dibenzylhydroxylamine621-07-832 % similar 1-Iodo-3-(phenylmethoxy)benzene107623-21-232 % similar 1-Benzyl-2-methylimidazole13750-62-432 % similar Bibenzyl103-29-731 % similar

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

Elsewhere

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