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

C₁₀H₉IN₂CAS 50877-42-4284.10 g/mol

Open in Covalent MOL file

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

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

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

Weigh it out

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-1H-pyrazole-4-carbaldehyde63874-95-354 % similar 1-Benzyl-1H-pyrazole-4-boronic acid852362-22-254 % similar 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 1-Methyl-4-iodo-1H-pyrazole39806-90-138 % similar N-Benzylpyrrole2051-97-036 % similar Iodobenzene591-50-434 % similar 4-Benzyloxyiodobenzene19578-68-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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