1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone

C22H22N4O2 — CID 17408119

IUPAC1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-16(27)17-7-9-19(10-8-17)25-11-13-26(14-12-25)22(28)20-15-23-24-21(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,23,24)
InChIKeySAGPISJMHMOHCH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 17408119) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID17408119
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-16(27)17-7-9-19(10-8-17)25-11-13-26(14-12-25)22(28)20-15-23-24-21(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,23,24)
InChIKeySAGPISJMHMOHCH-UHFFFAOYSA-N
XLogP3.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[5-(4-nitrophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 71824798
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 154747999
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 4826323
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 126776018

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 17408119) is 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is SAGPISJMHMOHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(27)17-7-9-19(10-8-17)25-11-13-26(14-12-25)22(28)20-15-23-24-21(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,23,24).
What are the key properties of 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 374.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 17408119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).