2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

C17H26N4OS — CID 45241706

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(Cc3cccs3)C(CCO)C2)cnn1C
InChIInChI=1S/C17H26N4OS/c1-14-15(10-18-19(14)2)11-20-6-7-21(16(12-20)5-8-22)13-17-4-3-9-23-17/h3-4,9-10,16,22H,5-8,11-13H2,1-2H3
InChIKeySIYMEFXNLFDGHK-UHFFFAOYSA-N
MW334.49 g/mol
LogP1.86
Rot. Bonds6

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45241706) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45241706
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(Cc3cccs3)C(CCO)C2)cnn1C
InChIInChI=1S/C17H26N4OS/c1-14-15(10-18-19(14)2)11-20-6-7-21(16(12-20)5-8-22)13-17-4-3-9-23-17/h3-4,9-10,16,22H,5-8,11-13H2,1-2H3
InChIKeySIYMEFXNLFDGHK-UHFFFAOYSA-N
XLogP1.86
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 45241706) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is Cc1c(CN2CCN(Cc3cccs3)C(CCO)C2)cnn1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is SIYMEFXNLFDGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-14-15(10-18-19(14)2)11-20-6-7-21(16(12-20)5-8-22)13-17-4-3-9-23-17/h3-4,9-10,16,22H,5-8,11-13H2,1-2H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 334.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).