1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C₁₁H₆F₃N₃O₄CAS 142818-03-9301.18 g/mol

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Alcohol Carboxylic Acid Halogen Nitro Tertiary Amine

Properties

Molecular formula: C₁₁H₆F₃N₃O₄
Molar mass: 301.18 g/mol
Exact mass: 301.0310 Da
logP: 2.50Crippen estimate
Polar surface area: 98.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

142818-03-9

SMILES

O=C(O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

InChIKey

FGHNILTUXGDLKS-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F3N3O4/c12-11(13,14)9-8(10(18)19)5-15-16(9)6-1-3-7(4-2-6)17(20)21/h1-5H,(H,18,19)

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Names and synonyms

1 names

1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-

Work with 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

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

Elsewhere

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