1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone

C24H17F3N2O — CID 67717245

IUPAC1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2cccc(-c3cccc(C(F)(F)F)c3)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C24H17F3N2O/c1-15(30)21-22(16-7-3-2-4-8-16)28-29-23(21)19-11-5-9-17(13-19)18-10-6-12-20(14-18)24(25,26)27/h2-14H,1H3,(H,28,29)
InChIKeyGWADPHGFRCMCBY-UHFFFAOYSA-N
MW406.41 g/mol
LogP6.63
Rot. Bonds4

About 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone

1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone (PubChem CID 67717245) has the molecular formula C24H17F3N2O and a molecular weight of 406.41 g/mol. Its IUPAC name is 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone
PubChem CID67717245
Molecular FormulaC24H17F3N2O
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2cccc(-c3cccc(C(F)(F)F)c3)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C24H17F3N2O/c1-15(30)21-22(16-7-3-2-4-8-16)28-29-23(21)19-11-5-9-17(13-19)18-10-6-12-20(14-18)24(25,26)27/h2-14H,1H3,(H,28,29)
InChIKeyGWADPHGFRCMCBY-UHFFFAOYSA-N
XLogP6.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 71455283
Ketone, 4-amino-5-phenyl-3-pyrazolyl phenyl
CID 13303395
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 10777890
3-(4-Fluorophenyl)-6,7-dihydro-1H-indazol-4(5H)-one
CID 3541776
1-[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
CID 134966201
[3-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)methanone
CID 177432073
3-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 10932759
1-(5-benzoyl-4-phenyl-1H-pyrazol-3-yl)ethanone
CID 101842205
Diphenyl-1h-pyrazole-4-carbaldehyde
CID 15486749
3-Benzoyl-4,5-diphenylpyrazole
CID 72944926
1-[5-(cyclohexen-1-ylmethyl)-3-phenyl-1H-pyrazol-4-yl]ethanone
CID 135064258
5-benzyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CID 135065256

Frequently Asked Questions

What is the IUPAC name of 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone (CID 67717245) is 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone is CC(=O)c1c(-c2cccc(-c3cccc(C(F)(F)F)c3)c2)n[nH]c1-c1ccccc1.
What is the InChIKey of 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone?
The InChIKey is GWADPHGFRCMCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O/c1-15(30)21-22(16-7-3-2-4-8-16)28-29-23(21)19-11-5-9-17(13-19)18-10-6-12-20(14-18)24(25,26)27/h2-14H,1H3,(H,28,29).
What are the key properties of 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone?
1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone has a molecular weight of 406.41 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 67717245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).