2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide

C13H17N3OS — CID 46341492

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-9-12(10(2)16-15-9)8-13(17)14-6-5-11-4-3-7-18-11/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVLZSEQUXITUNRU-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.99
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 46341492) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID46341492
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-9-12(10(2)16-15-9)8-13(17)14-6-5-11-4-3-7-18-11/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVLZSEQUXITUNRU-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 46341492) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCCc1cccs1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is VLZSEQUXITUNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-12(10(2)16-15-9)8-13(17)14-6-5-11-4-3-7-18-11/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 263.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 46341492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).