2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

C22H24N4O — CID 75527246

IUPAC2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H24N4O/c1-17-7-5-6-10-19(17)15-22(27)26-13-11-25(12-14-26)21-16-20(23-24-21)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,23,24)
InChIKeyIHECMRBCZLBJQO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.28
Rot. Bonds4

About 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone (PubChem CID 75527246) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
PubChem CID75527246
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H24N4O/c1-17-7-5-6-10-19(17)15-22(27)26-13-11-25(12-14-26)21-16-20(23-24-21)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,23,24)
InChIKeyIHECMRBCZLBJQO-UHFFFAOYSA-N
XLogP3.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527219
3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 75527247
2-(4-ethoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527263
2-(4-methoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]ethanone
CID 91887600
2-(2-methylphenyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133300459
2-(2-chloro-6-fluorophenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]ethanone
CID 91904653
1-[4-[5-(3,4-dimethylphenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 91914495
2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 91904652
1-[4-[5-(3,4-dimethylphenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone
CID 91887697
2-(2-methylphenyl)-1-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 53202722
3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 53180973
(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91914523

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone (CID 75527246) is 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The InChIKey is IHECMRBCZLBJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-7-5-6-10-19(17)15-22(27)26-13-11-25(12-14-26)21-16-20(23-24-21)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,23,24).
What are the key properties of 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone has a molecular weight of 360.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75527246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).