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

C23H25FN4O2 — CID 46031394

IUPAC2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3)CC2c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-17(29)27-13-11-26(12-14-27)16-23(30)28-22(19-7-9-20(24)10-8-19)15-21(25-28)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3
InChIKeyJQSBNZARNQBEFG-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.67
Rot. Bonds4

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

2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 46031394) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID46031394
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3)CC2c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-17(29)27-13-11-26(12-14-27)16-23(30)28-22(19-7-9-20(24)10-8-19)15-21(25-28)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3
InChIKeyJQSBNZARNQBEFG-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 46031394) is 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3)CC2c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is JQSBNZARNQBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-17(29)27-13-11-26(12-14-27)16-23(30)28-22(19-7-9-20(24)10-8-19)15-21(25-28)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
2-(4-acetylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-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-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 46031394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).