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

C19H17F3N2O — CID 12813207

IUPAC2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCCCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17F3N2O/c1-2-11-23-13-17(14-7-6-8-15(12-14)19(20,21)22)18(25)24(23)16-9-4-3-5-10-16/h3-10,12-13H,2,11H2,1H3
InChIKeyJDUQNXPAUFMWBK-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.73
Rot. Bonds4

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

2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one (PubChem CID 12813207) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
PubChem CID12813207
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCCCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17F3N2O/c1-2-11-23-13-17(14-7-6-8-15(12-14)19(20,21)22)18(25)24(23)16-9-4-3-5-10-16/h3-10,12-13H,2,11H2,1H3
InChIKeyJDUQNXPAUFMWBK-UHFFFAOYSA-N
XLogP4.73
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-1-propyl-4-[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

1-ethyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 12813191
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
CID 71086534
3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 13201825
1-ethyl-4-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 117223527
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879322
(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
3-(3,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879369
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
1-butyl-4-hydroxy-6-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 91157202
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The IUPAC name of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one (CID 12813207) is 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one.
What is the SMILES notation for 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The canonical SMILES for 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one is CCCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The InChIKey is JDUQNXPAUFMWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-2-11-23-13-17(14-7-6-8-15(12-14)19(20,21)22)18(25)24(23)16-9-4-3-5-10-16/h3-10,12-13H,2,11H2,1H3.
What are the key properties of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one has a molecular weight of 346.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one is sourced from PubChem (CID 12813207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).