N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide

C17H17N3OS — CID 46106899

IUPACN-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-13-11-16(18-17(21)12-15-9-6-10-22-15)19-20(13)14-7-4-3-5-8-14/h3-11H,2,12H2,1H3,(H,18,19,21)
InChIKeyIYEPONSSBQOVJC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.68
Rot. Bonds5

About N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide

N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 46106899) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide
PubChem CID46106899
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-13-11-16(18-17(21)12-15-9-6-10-22-15)19-20(13)14-7-4-3-5-8-14/h3-11H,2,12H2,1H3,(H,18,19,21)
InChIKeyIYEPONSSBQOVJC-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide (CID 46106899) is N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide is CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is IYEPONSSBQOVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-13-11-16(18-17(21)12-15-9-6-10-22-15)19-20(13)14-7-4-3-5-8-14/h3-11H,2,12H2,1H3,(H,18,19,21).
What are the key properties of N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46106899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).