chempirical

Osu-03012

C26H19F3N4OCAS 742112-33-0460.46 g/mol

Open in Covalent MOL file
H2NONHNNFFF
Alkyl halideAmidePrimary amine

Properties

Molecular formula
C26H19F3N4O
Molar mass
460.46 g/mol
Exact mass
460.1511 Da
logP
5.76Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

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
742112-33-0
SMILES
NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1
InChIKey
YULUCECVQOCQFQ-UHFFFAOYSA-N
InChI
InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)

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Names and synonyms

6 names
  • Acetamide, 2-amino-N-[4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]-
  • 2-Amino-N-[4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]acetamide
  • OSU 03012
  • AR 12
  • AR 12 (pharmaceutical)
  • 2-Amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

Work with Osu-03012

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

Mavacoxib170569-88-741 % similar Celecoxib169590-42-540 % similar 3,5-Bis(trifluoromethyl)-1-phenylpyrazole140647-19-435 % similar 2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide24522-30-330 % similar 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole134947-25-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia