2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide

C15H20N4OS — CID 51075753

IUPAC2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1cccn1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C15H20N4OS/c20-15(12-19-9-4-6-17-19)16-11-13(14-5-3-10-21-14)18-7-1-2-8-18/h3-6,9-10,13H,1-2,7-8,11-12H2,(H,16,20)
InChIKeyIEYYXFYVWPKKNX-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.90
Rot. Bonds6

About 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide

2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 51075753) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID51075753
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1cccn1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C15H20N4OS/c20-15(12-19-9-4-6-17-19)16-11-13(14-5-3-10-21-14)18-7-1-2-8-18/h3-6,9-10,13H,1-2,7-8,11-12H2,(H,16,20)
InChIKeyIEYYXFYVWPKKNX-UHFFFAOYSA-N
XLogP1.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide (CID 51075753) is 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide is O=C(Cn1cccn1)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is IEYYXFYVWPKKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c20-15(12-19-9-4-6-17-19)16-11-13(14-5-3-10-21-14)18-7-1-2-8-18/h3-6,9-10,13H,1-2,7-8,11-12H2,(H,16,20).
What are the key properties of 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 51075753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).