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

C17H26N4OS — CID 29023374

IUPAC2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(Cc3cccs3)[C@@H](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/t16-/m0/s1
InChIKeySIYMEFXNLFDGHK-INIZCTEOSA-N
MW334.49 g/mol
LogP1.86
Rot. Bonds6

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

2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 29023374) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID29023374
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(Cc3cccs3)[C@@H](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/t16-/m0/s1
InChIKeySIYMEFXNLFDGHK-INIZCTEOSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 29023374) is 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is Cc1c(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)cnn1C.
What is the InChIKey of 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is SIYMEFXNLFDGHK-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of 2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-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-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29023374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).