N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide

C11H13N3OS — CID 11031844

IUPACN-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide
SMILESCCc1cc(NC(C)=O)c(-n2cccn2)s1
InChIInChI=1S/C11H13N3OS/c1-3-9-7-10(13-8(2)15)11(16-9)14-6-4-5-12-14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeySMXTWYPPJPZFNG-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.45
Rot. Bonds3

About N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide

N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide (PubChem CID 11031844) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide
PubChem CID11031844
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide
SMILESCCc1cc(NC(C)=O)c(-n2cccn2)s1
InChIInChI=1S/C11H13N3OS/c1-3-9-7-10(13-8(2)15)11(16-9)14-6-4-5-12-14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeySMXTWYPPJPZFNG-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide?
The IUPAC name of N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide (CID 11031844) is N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide?
The canonical SMILES for N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide is CCc1cc(NC(C)=O)c(-n2cccn2)s1.
What is the InChIKey of N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide?
The InChIKey is SMXTWYPPJPZFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-9-7-10(13-8(2)15)11(16-9)14-6-4-5-12-14/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide?
N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide has a molecular weight of 235.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide is sourced from PubChem (CID 11031844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).