chempirical

Pyrazolate

C19H16Cl2N2O4SCAS 58011-68-0439.31 g/mol

Open in Covalent MOL file
SOOOOClClNN
Aryl halideKetoneSulfonate ester

Properties

Molecular formula
C19H16Cl2N2O4S
Molar mass
439.31 g/mol
Exact mass
438.0208 Da
Melting point
118 °C
logP
4.34Crippen estimate
Polar surface area
78.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
58011-68-0
SMILES
Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1
InChIKey
ASRAWSBMDXVNLX-UHFFFAOYSA-N
InChI
InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Methanone, (2,4-dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]-
  • (2,4-Dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]methanone
  • SW 751
  • A 544
  • Sanbird
  • H 468T
  • Pyrazolynate

Work with Pyrazolate

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

Genite97-16-536 % similar 2,4-Dichlorobenzophenone19811-05-335 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-134071-44-634 % similar Methyl 2,4-dichlorobenzoate35112-28-833 % similar 2,4-Dichlorobenzoyl peroxide133-14-233 % similar 2′,4′-Dichloroacetophenone2234-16-433 % similar Ethyl 2,4-dichlorobenzoate56882-52-132 % similar 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone2274-66-032 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook