N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H12F3N3OS — CID 47098991

IUPACN-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCc1cccs1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)10-4-6-18(17-10)8-11(19)16-5-3-9-2-1-7-20-9/h1-2,4,6-7H,3,5,8H2,(H,16,19)
InChIKeyLLLYLNRHCULOQN-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.32
Rot. Bonds5

About N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 47098991) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID47098991
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC NameN-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCc1cccs1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)10-4-6-18(17-10)8-11(19)16-5-3-9-2-1-7-20-9/h1-2,4,6-7H,3,5,8H2,(H,16,19)
InChIKeyLLLYLNRHCULOQN-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide 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-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 47098991) is N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCCc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is LLLYLNRHCULOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c13-12(14,15)10-4-6-18(17-10)8-11(19)16-5-3-9-2-1-7-20-9/h1-2,4,6-7H,3,5,8H2,(H,16,19).
What are the key properties of N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 303.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 47098991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).