chempirical

Phtpp

C20H11F6N3OCAS 805239-56-9423.32 g/mol

Open in Covalent MOL file
NNNHOFFFFFF
Alkyl halidePhenol

Properties

Molecular formula
C20H11F6N3O
Molar mass
423.32 g/mol
Exact mass
423.0806 Da
logP
5.81Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
805239-56-9
SMILES
C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
InChIKey
AEZPAUSGTAHLOQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H

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Names and synonyms

1 names
  • 4-[2-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-A]pyrimidin-3-yl]phenol

Work with Phtpp

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

5,7-Bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-A]pyrimidine174842-48-940 % similar 5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile175276-40-139 % similar 3,5-Bis(trifluoromethyl)-1-phenylpyrazole140647-19-438 % similar 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole134947-25-437 % similar 1-Acetyl-5(3)-phenyl-3(5)-(trifluoromethyl)pyrazole198348-94-633 % similar 4-Phenylphenol92-69-333 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-932 % similar 6-(Trifluoromethyl)-3-pyridinol216766-12-031 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook