1,4-Di(1H-pyrazol-4-yl)benzene

C₁₂H₁₀N₄CAS 1036248-62-0210.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀N₄
Molar mass: 210.24 g/mol
Exact mass: 210.0905 Da
logP: 2.47Crippen estimate
Polar surface area: 57.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1036248-62-0

SMILES

C1=CC(=CC=C1C2=CNN=C2)C3=CNN=C3

InChIKey

RUGLQPNWHSDVER-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N4/c1-2-10(12-7-15-16-8-12)4-3-9(1)11-5-13-14-6-11/h1-8H,(H,13,14)(H,15,16)

Weigh it out

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Names and synonyms

1 names

1,4-Di(4'-pyrazolyl)benzene

Work with 1,4-Di(1H-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

1,3,5-Tris(pyrazol-4-yl)benzene1325728-09-370 % similar 4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-659 % similar At7867857531-00-146 % similar 4-Chloropyrazole15878-00-942 % similar 4-Bromopyrazole2075-45-842 % similar 1H-Pyrazol-4-amine28466-26-442 % similar 4-Iodopyrazole3469-69-042 % similar 4-Fluoro-1H-pyrazole35277-02-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,6-Diamino-1,10-phenanthroline168646-54-6 2,3-Diaminophenazine655-86-7

Elsewhere

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