2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H24N4O2S — CID 51104598

IUPAC2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NCc1cccs1
InChIInChI=1S/C17H24N4O2S/c22-10-9-21-16(3-6-19-21)14-4-7-20(8-5-14)13-17(23)18-12-15-2-1-11-24-15/h1-3,6,11,14,22H,4-5,7-10,12-13H2,(H,18,23)
InChIKeyBNFDUKJKLUPJKY-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.43
Rot. Bonds7

About 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51104598) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51104598
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NCc1cccs1
InChIInChI=1S/C17H24N4O2S/c22-10-9-21-16(3-6-19-21)14-4-7-20(8-5-14)13-17(23)18-12-15-2-1-11-24-15/h1-3,6,11,14,22H,4-5,7-10,12-13H2,(H,18,23)
InChIKeyBNFDUKJKLUPJKY-UHFFFAOYSA-N
XLogP1.43
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 51104598) is 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCC(c2ccnn2CCO)CC1)NCc1cccs1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BNFDUKJKLUPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-10-9-21-16(3-6-19-21)14-4-7-20(8-5-14)13-17(23)18-12-15-2-1-11-24-15/h1-3,6,11,14,22H,4-5,7-10,12-13H2,(H,18,23).
What are the key properties of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51104598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).