5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one

C18H23FN4O2 — CID 75395070

IUPAC5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(CC(=O)N2CCN(CCc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C18H23FN4O2/c1-21-17(24)12-16(20-21)13-18(25)23-10-8-22(9-11-23)7-6-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyVTAXEICXYDZGTA-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.12
Rot. Bonds5

About 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one

5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one (PubChem CID 75395070) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one
PubChem CID75395070
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(CC(=O)N2CCN(CCc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C18H23FN4O2/c1-21-17(24)12-16(20-21)13-18(25)23-10-8-22(9-11-23)7-6-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyVTAXEICXYDZGTA-UHFFFAOYSA-N
XLogP1.12
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110629304
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
2-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110290620
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71706470
2-(3,4-dimethylphenoxy)-1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110308570
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 43251745

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one (CID 75395070) is 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one is CN1N=C(CC(=O)N2CCN(CCc3ccc(F)cc3)CC2)CC1=O.
What is the InChIKey of 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one?
The InChIKey is VTAXEICXYDZGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-21-17(24)12-16(20-21)13-18(25)23-10-8-22(9-11-23)7-6-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3.
What are the key properties of 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one?
5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one has a molecular weight of 346.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 75395070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).