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

C21H23FN4O — CID 2981137

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C21H23FN4O/c22-18-6-8-19(9-7-18)25-14-12-24(13-15-25)16-21(27)26-20(10-11-23-26)17-4-2-1-3-5-17/h1-9,11,20H,10,12-16H2
InChIKeyXJJCNPMJDDALAG-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.91
Rot. Bonds4

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 2981137) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID2981137
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C21H23FN4O/c22-18-6-8-19(9-7-18)25-14-12-24(13-15-25)16-21(27)26-20(10-11-23-26)17-4-2-1-3-5-17/h1-9,11,20H,10,12-16H2
InChIKeyXJJCNPMJDDALAG-UHFFFAOYSA-N
XLogP2.91
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 2981137) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is O=C(CN1CCN(c2ccc(F)cc2)CC1)N1N=CCC1c1ccccc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is XJJCNPMJDDALAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-18-6-8-19(9-7-18)25-14-12-24(13-15-25)16-21(27)26-20(10-11-23-26)17-4-2-1-3-5-17/h1-9,11,20H,10,12-16H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 366.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 2981137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).