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

C12H12F3N3OS — CID 47098770

IUPACN-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H12F3N3OS/c1-8(9-3-2-6-20-9)16-11(19)7-18-5-4-10(17-18)12(13,14)15/h2-6,8H,7H2,1H3,(H,16,19)
InChIKeyJKXOJFPFNQTLHR-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.84
Rot. Bonds4

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

N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 47098770) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID47098770
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC NameN-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H12F3N3OS/c1-8(9-3-2-6-20-9)16-11(19)7-18-5-4-10(17-18)12(13,14)15/h2-6,8H,7H2,1H3,(H,16,19)
InChIKeyJKXOJFPFNQTLHR-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 47098770) is N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(NC(=O)Cn1ccc(C(F)(F)F)n1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JKXOJFPFNQTLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-8(9-3-2-6-20-9)16-11(19)7-18-5-4-10(17-18)12(13,14)15/h2-6,8H,7H2,1H3,(H,16,19).
What are the key properties of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 303.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 47098770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).