4,4′-Bis(1-phenyl-3-methyl-5-pyrazolone)

C20H18N4O2CAS 7477-67-0346.39 g/mol

NNOONN
AmideHydrazoneLactam

Properties

Molecular formula
C20H18N4O2
Molar mass
346.39 g/mol
Exact mass
346.1430 Da
Melting point
above 320 °C
logP
3.06Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
7477-67-0
SMILES
CC1=NN(c2ccccc2)C(=O)C1C1C(=O)N(c2ccccc2)N=C1C
InChIKey
FORCWSNQDMPPOC-UHFFFAOYSA-N
InChI
InChI=1S/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3

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Names and synonyms

6 names
  • [4,4′-Bi-3H-pyrazole]-3,3′-dione, 2,2′,4,4′-tetrahydro-5,5′-dimethyl-2,2′-diphenyl-
  • [4,4′-Bi-2-pyrazoline]-5,5′-dione, 3,3′-dimethyl-1,1′-diphenyl-
  • 2,2′,4,4′-Tetrahydro-5,5′-dimethyl-2,2′-diphenyl[4,4′-bi-3H-pyrazole]-3,3′-dione
  • NSC 37393
  • NSC 401001
  • 3-Methyl-4-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

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Similar compounds

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

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