1,3,5-Tris(pyrazol-4-yl)benzene

C₁₅H₁₂N₆CAS 1325728-09-3276.30 g/mol

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Properties

Molecular formula: C₁₅H₁₂N₆
Molar mass: 276.30 g/mol
Exact mass: 276.1123 Da
logP: 2.86Crippen estimate
Polar surface area: 86.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

1325728-09-3

SMILES

C1=C(C=C(C=C1C2=CNN=C2)C3=CNN=C3)C4=CNN=C4

InChIKey

KPOMEKVZZCIYOE-UHFFFAOYSA-N

InChI

InChI=1S/C15H12N6/c1-10(13-4-16-17-5-13)2-12(15-8-20-21-9-15)3-11(1)14-6-18-19-7-14/h1-9H,(H,16,17)(H,18,19)(H,20,21)

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Names and synonyms

1 names

1,3,5-Tri(4-pyrazolyl)benzene

Work with 1,3,5-Tris(pyrazol-4-yl)benzene

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-Di(1H-pyrazol-4-yl)benzene1036248-62-070 % similar 4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-644 % similar 4-Chloropyrazole15878-00-942 % similar 4-Bromopyrazole2075-45-842 % similar 1H-Pyrazol-4-amine28466-26-442 % similar 4-Iodopyrazole3469-69-042 % similar 4-Methylpyrazole7554-65-642 % similar 1H-Pyrazole-4-methanol25222-43-937 % similar

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

Elsewhere

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