N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride

C22H33Cl2N5O — CID 120757938

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C22H31N5O.2ClH/c1-2-17-7-9-18(10-8-17)20-15-23-13-14-26(20)16-22(28)25-21-11-12-24-27(21)19-5-3-4-6-19;;/h7-12,19-20,23H,2-6,13-16H2,1H3,(H,25,28);2*1H
InChIKeyZWBDICXARYMLGV-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.99
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride

N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 120757938) has the molecular formula C22H33Cl2N5O and a molecular weight of 454.45 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID120757938
Molecular FormulaC22H33Cl2N5O
Molecular Weight454.45 g/mol
Exact Mass453.21
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C22H31N5O.2ClH/c1-2-17-7-9-18(10-8-17)20-15-23-13-14-26(20)16-22(28)25-21-11-12-24-27(21)19-5-3-4-6-19;;/h7-12,19-20,23H,2-6,13-16H2,1H3,(H,25,28);2*1H
InChIKeyZWBDICXARYMLGV-UHFFFAOYSA-N
XLogP3.99
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120756360
3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122331
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757864
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
3-[2-(4-ethylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 120757841
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120758014
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 120758101
3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride
CID 120758052
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride (CID 120757938) is N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride is CCc1ccc(C2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1.Cl.Cl.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is ZWBDICXARYMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O.2ClH/c1-2-17-7-9-18(10-8-17)20-15-23-13-14-26(20)16-22(28)25-21-11-12-24-27(21)19-5-3-4-6-19;;/h7-12,19-20,23H,2-6,13-16H2,1H3,(H,25,28);2*1H.
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 454.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120757938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).