2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone

C24H28N4O — CID 59564417

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccccc3)C[C@H]2C)n1
InChIInChI=1S/C24H28N4O/c1-18-15-19(2)28(25-18)17-24(29)27-14-13-26(16-20(27)3)23-12-8-7-11-22(23)21-9-5-4-6-10-21/h4-12,15,20H,13-14,16-17H2,1-3H3/t20-/m1/s1
InChIKeyJJOWDCBYYZEART-HXUWFJFHSA-N
MW388.52 g/mol
LogP3.90
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone (PubChem CID 59564417) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone
PubChem CID59564417
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccccc3)C[C@H]2C)n1
InChIInChI=1S/C24H28N4O/c1-18-15-19(2)28(25-18)17-24(29)27-14-13-26(16-20(27)3)23-12-8-7-11-22(23)21-9-5-4-6-10-21/h4-12,15,20H,13-14,16-17H2,1-3H3/t20-/m1/s1
InChIKeyJJOWDCBYYZEART-HXUWFJFHSA-N
XLogP3.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
CID 59564488
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[4-fluoro-2-(2-methylsulfonylpyrimidin-5-yl)phenyl]-2-methylpiperazin-1-yl]ethanone
CID 59564649
N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide
CID 59564405
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(5-phenylthiophen-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59564554
1-[4-[2-[4-(dimethylaminosulfanyl)phenyl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 91567556
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(4-ethoxyphenyl)phenyl]piperazin-1-yl]ethanone
CID 59564501
3-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-N-methylbenzamide
CID 59564347
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-[methyl(methylidene)-λ4-sulfanyl]pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone
CID 91199354
5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one
CID 70833974
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-ethoxypyrimidin-5-yl)phenyl]piperazin-1-yl]ethanone
CID 59564527
1-[4-[2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 59564376

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone (CID 59564417) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccccc3)C[C@H]2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone?
The InChIKey is JJOWDCBYYZEART-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-15-19(2)28(25-18)17-24(29)27-14-13-26(16-20(27)3)23-12-8-7-11-22(23)21-9-5-4-6-10-21/h4-12,15,20H,13-14,16-17H2,1-3H3/t20-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone has a molecular weight of 388.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59564417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).