2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

C17H24N4OS — CID 136549871

IUPAC2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESCCn1ccc(CC(=O)N2CCN(CCc3cccs3)CC2)n1
InChIInChI=1S/C17H24N4OS/c1-2-21-8-5-15(18-21)14-17(22)20-11-9-19(10-12-20)7-6-16-4-3-13-23-16/h3-5,8,13H,2,6-7,9-12,14H2,1H3
InChIKeyMUCPBNZWRLVVBM-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.89
Rot. Bonds6

About 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (PubChem CID 136549871) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
PubChem CID136549871
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESCCn1ccc(CC(=O)N2CCN(CCc3cccs3)CC2)n1
InChIInChI=1S/C17H24N4OS/c1-2-21-8-5-15(18-21)14-17(22)20-11-9-19(10-12-20)7-6-16-4-3-13-23-16/h3-5,8,13H,2,6-7,9-12,14H2,1H3
InChIKeyMUCPBNZWRLVVBM-UHFFFAOYSA-N
XLogP1.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
CID 136578933
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113074569
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110665574
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 23824710
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 42111036
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (CID 136549871) is 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is CCn1ccc(CC(=O)N2CCN(CCc3cccs3)CC2)n1.
What is the InChIKey of 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is MUCPBNZWRLVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-21-8-5-15(18-21)14-17(22)20-11-9-19(10-12-20)7-6-16-4-3-13-23-16/h3-5,8,13H,2,6-7,9-12,14H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 332.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 136549871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).