1,1-Dimethylethyl 4-[[[[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]benzoate

C₂₄H₂₇N₃O₄CAS 111812-58-9421.50 g/mol

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Ester Ether Oxime

Properties

Molecular formula: C₂₄H₂₇N₃O₄
Molar mass: 421.50 g/mol
Exact mass: 421.2002 Da
Melting point: 102 °C
logP: 5.03Crippen estimate
Polar surface area: 74.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 7

Identifiers

CAS number

111812-58-9

SMILES

Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1

InChIKey

YYJNOYZRYGDPNH-UHFFFAOYSA-N

InChI

InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3

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Names and synonyms

1 names

Benzoic acid, 4-[[[[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]-, 1,1-dimethylethyl ester

Work with 1,1-Dimethylethyl 4-[[[[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]benzoate

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

tert-Butyl 4-(bromomethyl)benzoate108052-76-237 % similar tert-Butyl 4-(chloromethyl)benzoate121579-86-037 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-835 % similar tert-Butyl 4-iodobenzoate120363-13-532 % similar 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-332 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-830 % similar

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

Same formula

Fenpyroximate134098-61-6

Elsewhere

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