1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone

C26H30F2N4O2 — CID 11547260

IUPAC1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1
InChIInChI=1S/C26H30F2N4O2/c1-19(33)31-15-13-30(14-16-31)12-6-11-26(21-7-4-3-5-8-21)18-25(29-32(26)20(2)34)23-17-22(27)9-10-24(23)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1
InChIKeyGTKCZSXHQIQSPL-SANMLTNESA-N
MW468.55 g/mol
LogP3.76
Rot. Bonds6

About 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone

1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone (PubChem CID 11547260) has the molecular formula C26H30F2N4O2 and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone
PubChem CID11547260
Molecular FormulaC26H30F2N4O2
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1
InChIInChI=1S/C26H30F2N4O2/c1-19(33)31-15-13-30(14-16-31)12-6-11-26(21-7-4-3-5-8-21)18-25(29-32(26)20(2)34)23-17-22(27)9-10-24(23)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1
InChIKeyGTKCZSXHQIQSPL-SANMLTNESA-N
XLogP3.76
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone 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-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
1-((S)-5-(3-(2-aza-bicyclo[2.2.1]heptan-2-yl)propyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 11539390
1-((R)-5-((S)-3-amino-2-fluoropropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 11848366
(S)-1-(5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435350
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
3-[3-(2,5-difluorophenyl)-5-phenyl-1-(piperidin-1-ylcarbonyl)-4,5-dihydro-1H-pyrazol-5-yl]propan-1-amine
CID 24901512
Pkumdl_MH_1001
CID 11841193
1-((S)-3-(2,5-difluorophenyl)-5-(3-((S)-3-fluoropyrrolidin-1-yl)propyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435375
1-[3-(4-fluorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethanone
CID 3155812

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone (CID 11547260) is 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1.
What is the InChIKey of 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone?
The InChIKey is GTKCZSXHQIQSPL-SANMLTNESA-N. The full InChI is InChI=1S/C26H30F2N4O2/c1-19(33)31-15-13-30(14-16-31)12-6-11-26(21-7-4-3-5-8-21)18-25(29-32(26)20(2)34)23-17-22(27)9-10-24(23)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1.
What are the key properties of 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone?
1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone has a molecular weight of 468.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(3S)-2-acetyl-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 11547260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).