2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C17H22ClN5O — CID 120757432

IUPAC2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCNCC2c2ccccc2Cl)n(C)n1
InChIInChI=1S/C17H22ClN5O/c1-12-9-16(22(2)21-12)20-17(24)11-23-8-7-19-10-15(23)13-5-3-4-6-14(13)18/h3-6,9,15,19H,7-8,10-11H2,1-2H3,(H,20,24)
InChIKeySSXKTEHQIUGXSZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP1.97
Rot. Bonds4

About 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 120757432) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID120757432
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCNCC2c2ccccc2Cl)n(C)n1
InChIInChI=1S/C17H22ClN5O/c1-12-9-16(22(2)21-12)20-17(24)11-23-8-7-19-10-15(23)13-5-3-4-6-14(13)18/h3-6,9,15,19H,7-8,10-11H2,1-2H3,(H,20,24)
InChIKeySSXKTEHQIUGXSZ-UHFFFAOYSA-N
XLogP1.97
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757424
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 120757638
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
3-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 120757256
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 120738810
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757022
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 120755819
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 120757432) is 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCNCC2c2ccccc2Cl)n(C)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is SSXKTEHQIUGXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-12-9-16(22(2)21-12)20-17(24)11-23-8-7-19-10-15(23)13-5-3-4-6-14(13)18/h3-6,9,15,19H,7-8,10-11H2,1-2H3,(H,20,24).
What are the key properties of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 347.85 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 120757432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).