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

C18H15F3N2O2 — CID 135066091

IUPAC1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c1-12(24)23-17(25,11-16(22-23)13-5-3-2-4-6-13)14-7-9-15(10-8-14)18(19,20)21/h2-10,25H,11H2,1H3
InChIKeyJWIYLSIQXSJXAG-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.51
Rot. Bonds2

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

1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone (PubChem CID 135066091) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone
PubChem CID135066091
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c1-12(24)23-17(25,11-16(22-23)13-5-3-2-4-6-13)14-7-9-15(10-8-14)18(19,20)21/h2-10,25H,11H2,1H3
InChIKeyJWIYLSIQXSJXAG-UHFFFAOYSA-N
XLogP3.51
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone (CID 135066091) is 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone is CC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone?
The InChIKey is JWIYLSIQXSJXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-12(24)23-17(25,11-16(22-23)13-5-3-2-4-6-13)14-7-9-15(10-8-14)18(19,20)21/h2-10,25H,11H2,1H3.
What are the key properties of 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone?
1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone has a molecular weight of 348.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 135066091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).