1-(2,4,6-Trichlorophenyl)-3-(2-chloro-5-aminoanilino)-5-pyrazolinone

C15H10Cl4N4OCAS 53411-33-9404.07 g/mol

Open in Covalent MOL file
NH2ClNONClClClNH
AmideAmidineAryl halideLactamPrimary amine

Properties

Molecular formula
C15H10Cl4N4O
Molar mass
404.07 g/mol
Exact mass
401.9609 Da
Melting point
237–238 °C
logP
4.85Crippen estimate
Polar surface area
70.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
53411-33-9
SMILES
Nc1ccc(Cl)c(N=C2CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)c1
InChIKey
LDWDFXXBUGPHRO-UHFFFAOYSA-N
InChI
InChI=1S/C15H10Cl4N4O/c16-7-3-10(18)15(11(19)4-7)23-14(24)6-13(22-23)21-12-5-8(20)1-2-9(12)17/h1-5H,6,20H2,(H,21,22)

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Names and synonyms

5 names
  • 3H-Pyrazol-3-one, 5-[(5-amino-2-chlorophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-
  • 5-[(5-Amino-2-chlorophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one
  • 1-(2,4,6-Trichlorophenyl)-3-(2-chloro-5-aminoanilino)-5-pyrazolone
  • 3-(5-Amino-2-chloroanilino)-1-(2,4,6-trichlorophenyl)-5-pyrazolone
  • 1-(2,4,6-Trichlorophenyl)-3-(5-amino-2-chloroanilino)-5-pyrazolone

Work with 1-(2,4,6-Trichlorophenyl)-3-(2-chloro-5-aminoanilino)-5-pyrazolinone

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

1-(2,4,6-Trichlorophenyl)-3-(2-chloro-5-nitroanilino)-5-pyrazolinone30707-68-768 % similar 1-(2,4,6-Trichlorophenyl)-3-amino-5-pyrazolone27241-31-251 % similar 4-Amino-2-chlorobenzoic acid2457-76-335 % similar 5-Amino-2-chlorobenzoic acid89-54-335 % similar N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-634 % similar 2-Chloro-5-amino-acetophenone99914-14-432 % similar N-(2,4,6-Trichlorophenyl)maleimide13167-25-431 % similar 2,4-Dichloro-D-phenylalanine114872-98-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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