1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one

C18H15F3N2O — CID 12813191

IUPAC1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCCn1cc(-c2ccccc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O/c1-2-22-12-16(13-7-4-3-5-8-13)17(24)23(22)15-10-6-9-14(11-15)18(19,20)21/h3-12H,2H2,1H3
InChIKeyBGARSMXXDGCVKW-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.34
Rot. Bonds3

About 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one

1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one (PubChem CID 12813191) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one.

Molecular Properties

Compound Name1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
PubChem CID12813191
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCCn1cc(-c2ccccc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O/c1-2-22-12-16(13-7-4-3-5-8-13)17(24)23(22)15-10-6-9-14(11-15)18(19,20)21/h3-12H,2H2,1H3
InChIKeyBGARSMXXDGCVKW-UHFFFAOYSA-N
XLogP4.34
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 12813207
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
CID 71086534
1-ethyl-4-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 117223527
(1S,2S,6R,7R)-1-ethyl-7-methyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 1275195
2-[1-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]propyl]isoindole-1,3-dione
CID 2972435
1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
CID 158368432
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
4-(hydroxymethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 117123353
1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The IUPAC name of 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one (CID 12813191) is 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one.
What is the SMILES notation for 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The canonical SMILES for 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one is CCn1cc(-c2ccccc2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The InChIKey is BGARSMXXDGCVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-2-22-12-16(13-7-4-3-5-8-13)17(24)23(22)15-10-6-9-14(11-15)18(19,20)21/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one has a molecular weight of 332.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one is sourced from PubChem (CID 12813191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).