N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide

C22H31N5O2 — CID 9328322

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C22H31N5O2/c1-2-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-22(28)24-21-11-12-23-27(21)18-7-3-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,28)
InChIKeyIFNSKFIOAHZAEB-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.16
Rot. Bonds7

About N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 9328322) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
PubChem CID9328322
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C22H31N5O2/c1-2-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-22(28)24-21-11-12-23-27(21)18-7-3-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,28)
InChIKeyIFNSKFIOAHZAEB-UHFFFAOYSA-N
XLogP3.16
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide (CID 9328322) is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide is CCOc1ccccc1N1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is IFNSKFIOAHZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-2-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-22(28)24-21-11-12-23-27(21)18-7-3-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,28).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9328322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).