2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C21H29N5O2 — CID 126789735

IUPAC2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C21H29N5O2/c1-15(17-5-3-4-6-19(17)28-2)22-21(27)14-25-9-11-26(12-10-25)20-13-18(23-24-20)16-7-8-16/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyCZDUHBXMZABXGG-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.30
Rot. Bonds7

About 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 126789735) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID126789735
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C21H29N5O2/c1-15(17-5-3-4-6-19(17)28-2)22-21(27)14-25-9-11-26(12-10-25)20-13-18(23-24-20)16-7-8-16/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyCZDUHBXMZABXGG-UHFFFAOYSA-N
XLogP2.30
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 112820092
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78897328
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 112771056
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55409417
(2R)-1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914296
N-[1-(2-chlorophenyl)ethyl]-2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetamide
CID 60503652
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 126789735) is 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is CZDUHBXMZABXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(17-5-3-4-6-19(17)28-2)22-21(27)14-25-9-11-26(12-10-25)20-13-18(23-24-20)16-7-8-16/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 126789735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).