2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone

C17H21ClN4O — CID 90506507

IUPAC2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H21ClN4O/c1-12-17(13(2)20-19-12)22-9-7-21(8-10-22)16(23)11-14-5-3-4-6-15(14)18/h3-6H,7-11H2,1-2H3,(H,19,20)
InChIKeyXPDXQCMTIXNBNU-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 90506507) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
PubChem CID90506507
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H21ClN4O/c1-12-17(13(2)20-19-12)22-9-7-21(8-10-22)16(23)11-14-5-3-4-6-15(14)18/h3-6H,7-11H2,1-2H3,(H,19,20)
InChIKeyXPDXQCMTIXNBNU-UHFFFAOYSA-N
XLogP2.57
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90506464
2-benzylsulfanyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506462
2-(3,4-dimethoxyphenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506465
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506533
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506378
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90506459
2-(2-chlorophenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825019
2-(2-chlorophenyl)-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122341006
N-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506985
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 90507025
2-(2-chlorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9254435

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone (CID 90506507) is 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone is Cc1n[nH]c(C)c1N1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone?
The InChIKey is XPDXQCMTIXNBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-17(13(2)20-19-12)22-9-7-21(8-10-22)16(23)11-14-5-3-4-6-15(14)18/h3-6H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 332.83 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90506507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).