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

C15H16F3N3O — CID 815378

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H16F3N3O/c1-11-9-13(15(16,17)18)20-21(11)10-14(22)19-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,19,22)
InChIKeyZBZPREYPYINMND-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.57
Rot. Bonds5

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 815378) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID815378
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H16F3N3O/c1-11-9-13(15(16,17)18)20-21(11)10-14(22)19-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,19,22)
InChIKeyZBZPREYPYINMND-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide (CID 815378) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZBZPREYPYINMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-11-9-13(15(16,17)18)20-21(11)10-14(22)19-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,19,22).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 311.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 815378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).