1-(2,4,6-Trichlorophenyl)-3-amino-5-pyrazolone

C9H6Cl3N3OCAS 27241-31-2278.52 g/mol

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HNONClClClNH
AmideAmidineAryl halideLactam

Properties

Molecular formula
C9H6Cl3N3O
Molar mass
278.52 g/mol
Exact mass
276.9576 Da
Melting point
222–224 °C
logP
2.87Crippen estimate
Polar surface area
56.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

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
27241-31-2
SMILES
N=C1CC(=O)N(c2c(Cl)cc(Cl)cc2Cl)N1
InChIKey
FOGGKKWSFIESMZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6Cl3N3O/c10-4-1-5(11)9(6(12)2-4)15-8(16)3-7(13)14-15/h1-2H,3H2,(H2,13,14)

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Names and synonyms

8 names
  • 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(2,4,6-trichlorophenyl)-
  • 2-Pyrazolin-5-one, 3-amino-1-(2,4,6-trichlorophenyl)-
  • 5-Amino-2,4-dihydro-2-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one
  • 1-(2,4,6-Trichlorophenyl)-3-anilinopyrazolone
  • 1-(2,4,6-Trichlorophenyl)-3-amino-2-pyrazoline-5-one
  • NSC 113482
  • 3-Amino-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-5-one
  • 3-Amino-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one

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Similar compounds

3-Amino-1-phenyl-2-pyrazolin-5-one4149-06-854 % similar 1-(2,4,6-Trichlorophenyl)-3-(2-chloro-5-aminoanilino)-5-pyrazolinone53411-33-951 % similar 1-(2,4,6-Trichlorophenyl)-3-(2-chloro-5-nitroanilino)-5-pyrazolinone30707-68-747 % similar N-(2,4,6-Trichlorophenyl)maleimide13167-25-440 % similar Bis(2,4,6-trichlorophenyl) propanedioate15781-70-136 % similar 3-(3,5-Dichlorophenyl)-1-methylhydantoin27387-90-235 % similar Clobazam22316-47-833 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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