2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

C25H24F4N4O2 — CID 55852855

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C25H24F4N4O2/c1-16-21(17(2)33(30-16)19-9-7-18(26)8-10-19)15-23(34)31-11-13-32(14-12-31)24(35)20-5-3-4-6-22(20)25(27,28)29/h3-10H,11-15H2,1-2H3
InChIKeyCVGQUALQAZCUAL-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.17
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 55852855) has the molecular formula C25H24F4N4O2 and a molecular weight of 488.49 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID55852855
Molecular FormulaC25H24F4N4O2
Molecular Weight488.49 g/mol
Exact Mass488.18
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C25H24F4N4O2/c1-16-21(17(2)33(30-16)19-9-7-18(26)8-10-19)15-23(34)31-11-13-32(14-12-31)24(35)20-5-3-4-6-22(20)25(27,28)29/h3-10H,11-15H2,1-2H3
InChIKeyCVGQUALQAZCUAL-UHFFFAOYSA-N
XLogP4.17
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802531
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 55850486
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-thiomorpholin-4-ylethanone
CID 56815935
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 55760214
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55757476
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562254
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111561121
2-[1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidin-4-yl]acetic acid
CID 119178008
2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 31738486
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 119519197
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 124589896

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (CID 55852855) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is CVGQUALQAZCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O2/c1-16-21(17(2)33(30-16)19-9-7-18(26)8-10-19)15-23(34)31-11-13-32(14-12-31)24(35)20-5-3-4-6-22(20)25(27,28)29/h3-10H,11-15H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 488.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55852855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).