phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone

C19H15F3N2O — CID 134950670

IUPACphenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone
SMILESO=C(C1=NNC(C(F)(F)F)/C1=C\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)18-15(12-11-13-7-3-1-4-8-13)16(23-24-18)17(25)14-9-5-2-6-10-14/h1-10,12,18,24H,11H2/b15-12-
InChIKeyFDUQOPCRESRBON-QINSGFPZSA-N
MW344.34 g/mol
LogP3.93
Rot. Bonds4

About phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone

phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone (PubChem CID 134950670) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone
PubChem CID134950670
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Namephenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone
SMILESO=C(C1=NNC(C(F)(F)F)/C1=C\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)18-15(12-11-13-7-3-1-4-8-13)16(23-24-18)17(25)14-9-5-2-6-10-14/h1-10,12,18,24H,11H2/b15-12-
InChIKeyFDUQOPCRESRBON-QINSGFPZSA-N
XLogP3.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone?
The IUPAC name of phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone (CID 134950670) is phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone.
What is the SMILES notation for phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone?
The canonical SMILES for phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone is O=C(C1=NNC(C(F)(F)F)/C1=C\Cc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone?
The InChIKey is FDUQOPCRESRBON-QINSGFPZSA-N. The full InChI is InChI=1S/C19H15F3N2O/c20-19(21,22)18-15(12-11-13-7-3-1-4-8-13)16(23-24-18)17(25)14-9-5-2-6-10-14/h1-10,12,18,24H,11H2/b15-12-.
What are the key properties of phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone?
phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone has a molecular weight of 344.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(4E)-4-(2-phenylethylidene)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methanone is sourced from PubChem (CID 134950670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).