3-(Heptafluoro-1-propyl)-5-phenylpyrazole

C₁₂H₇F₇N₂CAS 54864-78-7312.19 g/mol

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Properties

Molecular formula: C₁₂H₇F₇N₂
Molar mass: 312.19 g/mol
Exact mass: 312.0497 Da
logP: 4.37Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

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

Aggregated from the 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

54864-78-7

SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(C(C(F)(F)F)(F)F)(F)F

InChIKey

JZKFJUIBEKMWRF-UHFFFAOYSA-N

InChI

InChI=1S/C12H7F7N2/c13-10(14,11(15,16)12(17,18)19)9-6-8(20-21-9)7-4-2-1-3-5-7/h1-6H,(H,20,21)

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Names and synonyms

1 names

5-(Heptafluoropropyl)-3-phenyl-1H-pyrazole

Work with 3-(Heptafluoro-1-propyl)-5-phenylpyrazole

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

3-Methyl-5-phenylpyrazole3347-62-443 % similar 2,4,6-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine915-76-434 % similar 3-Phenylpyrazole2458-26-633 % similar 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one559-91-130 % similar 3-Mercapto-5-phenyl-1,2,4-triazole3414-94-630 % similar

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

Elsewhere

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