2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C12H12F3N3OS — CID 867032

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCc1cccs1
InChIInChI=1S/C12H12F3N3OS/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h2-5H,6-7H2,1H3,(H,16,19)
InChIKeyHGNOOVXEOWIOIE-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.59
Rot. Bonds4

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 867032) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID867032
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCc1cccs1
InChIInChI=1S/C12H12F3N3OS/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h2-5H,6-7H2,1H3,(H,16,19)
InChIKeyHGNOOVXEOWIOIE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 867032) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HGNOOVXEOWIOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h2-5H,6-7H2,1H3,(H,16,19).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 303.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 867032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).