2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C23H25FN4O2 — CID 46030080

IUPAC2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3F)CC2c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-17(29)27-13-11-26(12-14-27)16-23(30)28-22(18-7-3-2-4-8-18)15-21(25-28)19-9-5-6-10-20(19)24/h2-10,22H,11-16H2,1H3
InChIKeyFHYMWIVGBNLDNO-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 46030080) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID46030080
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3F)CC2c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-17(29)27-13-11-26(12-14-27)16-23(30)28-22(18-7-3-2-4-8-18)15-21(25-28)19-9-5-6-10-20(19)24/h2-10,22H,11-16H2,1H3
InChIKeyFHYMWIVGBNLDNO-UHFFFAOYSA-N
XLogP2.67
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
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-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
2-(4-Ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4886386
2-(2-Oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 5057198
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
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 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 46030080) is 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3F)CC2c2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is FHYMWIVGBNLDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-17(29)27-13-11-26(12-14-27)16-23(30)28-22(18-7-3-2-4-8-18)15-21(25-28)19-9-5-6-10-20(19)24/h2-10,22H,11-16H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 408.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 46030080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).