(2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C20H22N4O2S — CID 75527384

IUPAC(2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C20H22N4O2S/c1-2-26-17-7-4-3-6-15(17)20(25)24-11-9-23(10-12-24)19-14-16(21-22-19)18-8-5-13-27-18/h3-8,13-14H,2,9-12H2,1H3,(H,21,22)
InChIKeyATXBUANYEOTEAA-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.50
Rot. Bonds5

About (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75527384) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75527384
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name(2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C20H22N4O2S/c1-2-26-17-7-4-3-6-15(17)20(25)24-11-9-23(10-12-24)19-14-16(21-22-19)18-8-5-13-27-18/h3-8,13-14H,2,9-12H2,1H3,(H,21,22)
InChIKeyATXBUANYEOTEAA-UHFFFAOYSA-N
XLogP3.50
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75527384) is (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is ATXBUANYEOTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-26-17-7-4-3-6-15(17)20(25)24-11-9-23(10-12-24)19-14-16(21-22-19)18-8-5-13-27-18/h3-8,13-14H,2,9-12H2,1H3,(H,21,22).
What are the key properties of (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75527384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).