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

C11H10F3N3OS — CID 39043422

IUPACN-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCc1cccs1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)9-3-4-17(16-9)7-10(18)15-6-8-2-1-5-19-8/h1-5H,6-7H2,(H,15,18)
InChIKeyBYHYFXRXGWOXFS-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.28
Rot. Bonds4

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

N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 39043422) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID39043422
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC NameN-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCc1cccs1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)9-3-4-17(16-9)7-10(18)15-6-8-2-1-5-19-8/h1-5H,6-7H2,(H,15,18)
InChIKeyBYHYFXRXGWOXFS-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 39043422) is N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is BYHYFXRXGWOXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c12-11(13,14)9-3-4-17(16-9)7-10(18)15-6-8-2-1-5-19-8/h1-5H,6-7H2,(H,15,18).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 289.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 39043422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).