1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone

C16H16F4N4O — CID 69002033

IUPAC1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone
SMILESCC(=O)C1CN(c2ccc(F)cc2)CCN1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H16F4N4O/c1-11(25)14-10-22(13-4-2-12(17)3-5-13)8-9-23(14)24-7-6-15(21-24)16(18,19)20/h2-7,14H,8-10H2,1H3
InChIKeyYBNXHUYFGNEOGQ-UHFFFAOYSA-N
MW356.32 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone

1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone (PubChem CID 69002033) has the molecular formula C16H16F4N4O and a molecular weight of 356.32 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone
PubChem CID69002033
Molecular FormulaC16H16F4N4O
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone
SMILESCC(=O)C1CN(c2ccc(F)cc2)CCN1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H16F4N4O/c1-11(25)14-10-22(13-4-2-12(17)3-5-13)8-9-23(14)24-7-6-15(21-24)16(18,19)20/h2-7,14H,8-10H2,1H3
InChIKeyYBNXHUYFGNEOGQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
CID 154541150
2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 146088301
1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 175661563
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55969661
(2S)-1-acetyl-4-(4-chlorophenyl)piperazine-2-carboxylic acid
CID 59441072
1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166817552
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide
CID 163845159
1-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4083768
(2S)-4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 61153712
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 1370410

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone (CID 69002033) is 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone is CC(=O)C1CN(c2ccc(F)cc2)CCN1n1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone?
The InChIKey is YBNXHUYFGNEOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4O/c1-11(25)14-10-22(13-4-2-12(17)3-5-13)8-9-23(14)24-7-6-15(21-24)16(18,19)20/h2-7,14H,8-10H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone?
1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone has a molecular weight of 356.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone is sourced from PubChem (CID 69002033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).