1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone

C26H27F3N4O2 — CID 55702558

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)CC2)cc1
InChIInChI=1S/C26H27F3N4O2/c1-17-24(18(2)33(30-17)23-6-4-5-21(15-23)26(27,28)29)16-25(35)32-13-11-31(12-14-32)22-9-7-20(8-10-22)19(3)34/h4-10,15H,11-14,16H2,1-3H3
InChIKeyCHLHSSXILVYJND-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.60
Rot. Bonds5

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone (PubChem CID 55702558) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone
PubChem CID55702558
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)CC2)cc1
InChIInChI=1S/C26H27F3N4O2/c1-17-24(18(2)33(30-17)23-6-4-5-21(15-23)26(27,28)29)16-25(35)32-13-11-31(12-14-32)22-9-7-20(8-10-22)19(3)34/h4-10,15H,11-14,16H2,1-3H3
InChIKeyCHLHSSXILVYJND-UHFFFAOYSA-N
XLogP4.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]piperazin-1-yl]-2-oxoacetamide
CID 60517851
2-[4-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56586009
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100659071
[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 39369333
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 78883964
2-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 46390763
4-chloro-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]benzohydrazide
CID 55702587
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 36793934
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 78884584
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9225031
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 167844133

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone (CID 55702558) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone?
The InChIKey is CHLHSSXILVYJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-17-24(18(2)33(30-17)23-6-4-5-21(15-23)26(27,28)29)16-25(35)32-13-11-31(12-14-32)22-9-7-20(8-10-22)19(3)34/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone has a molecular weight of 484.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 55702558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).