5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

C₁₇H₁₁Cl₃N₂O₂CAS 162758-35-2381.64 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₇H₁₁Cl₃N₂O₂
Molar mass: 381.64 g/mol
Exact mass: 379.9886 Da
Melting point: 202–203 °C
logP: 5.51Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

162758-35-2

SMILES

Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

InChIKey

CYAYCOCJAVHQSD-UHFFFAOYSA-N

InChI

InChI=1S/C17H11Cl3N2O2/c1-9-15(17(23)24)21-22(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,23,24)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-
1-(2,4-Dichlorophenyl)-5-(4-chlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid

Work with 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-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

Similar compounds

Rimonabant168273-06-163 % similar Rimonabant hydrochloride158681-13-161 % similar 2,4-Dichlorobenzoic acid50-84-042 % similar Lonidamine50264-69-241 % similar 2,5-Dichlorobenzoic acid50-79-340 % similar 3-Chloro-2-methylbenzoic acid7499-08-338 % similar 5-Chloro-2-methylbenzoic acid7499-06-138 % similar 4-Chloro-2-methylbenzoic acid7499-07-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook