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

C23H24ClFN4O2 — CID 46029868

IUPAC2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3F)CC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClFN4O2/c1-16(30)28-12-10-27(11-13-28)15-23(31)29-22(17-6-8-18(24)9-7-17)14-21(26-29)19-4-2-3-5-20(19)25/h2-9,22H,10-15H2,1H3
InChIKeyIVQLPBCUKQUREF-UHFFFAOYSA-N
MW442.92 g/mol
LogP3.32
Rot. Bonds4

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

2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 46029868) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID46029868
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3F)CC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClFN4O2/c1-16(30)28-12-10-27(11-13-28)15-23(31)29-22(17-6-8-18(24)9-7-17)14-21(26-29)19-4-2-3-5-20(19)25/h2-9,22H,10-15H2,1H3
InChIKeyIVQLPBCUKQUREF-UHFFFAOYSA-N
XLogP3.32
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone with MolForge

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 6884979
1-[(S)-5-[3-(4-acetyl-piperazin-1-yl)-propyl]-3-(2,5-difluoro-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 11547260
4-(4-Chlorobenzyl)-N-(1-(4-fluorophenyl)ethylidene)-1-piperazinamine
CID 7464662
3-(4-chlorophenyl)-5-phenyl-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958497
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 16000055
1-[3,5-Bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25146032
1-[3-(4-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147359
1-[5-(4-Chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147362
1-[3-(3-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10171750
1-(3-(2-Chlorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 10236493
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3245894
6-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 4422501

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 46029868) is 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3F)CC2c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is IVQLPBCUKQUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-16(30)28-12-10-27(11-13-28)15-23(31)29-22(17-6-8-18(24)9-7-17)14-21(26-29)19-4-2-3-5-20(19)25/h2-9,22H,10-15H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
2-(4-acetylpiperazin-1-yl)-1-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 442.92 g/mol, XLogP of 3.32, 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-[3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 46029868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).