2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide

C21H30ClN5O — CID 86895377

IUPAC2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCCc1nn(C)c(Cl)c1CN1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H30ClN5O/c1-3-19-18(21(22)25(2)24-19)15-26-11-13-27(14-12-26)16-20(28)23-10-9-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3,(H,23,28)
InChIKeyIUXAHPJSWQCMMT-UHFFFAOYSA-N
MW403.96 g/mol
LogP2.11
Rot. Bonds8

About 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 86895377) has the molecular formula C21H30ClN5O and a molecular weight of 403.96 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID86895377
Molecular FormulaC21H30ClN5O
Molecular Weight403.96 g/mol
Exact Mass403.21
IUPAC Name2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCCc1nn(C)c(Cl)c1CN1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H30ClN5O/c1-3-19-18(21(22)25(2)24-19)15-26-11-13-27(14-12-26)16-20(28)23-10-9-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3,(H,23,28)
InChIKeyIUXAHPJSWQCMMT-UHFFFAOYSA-N
XLogP2.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.96
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86895360
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 62656271
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 134011203
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 86895377) is 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is CCc1nn(C)c(Cl)c1CN1CCN(CC(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is IUXAHPJSWQCMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O/c1-3-19-18(21(22)25(2)24-19)15-26-11-13-27(14-12-26)16-20(28)23-10-9-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 403.96 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 86895377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).