2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H16F3N3O2 — CID 38112868

IUPAC2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c1-9-14(10(2)21(3)20-9)19-13(22)8-23-12-6-4-5-11(7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyXHCURVHPAGDQPJ-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.07
Rot. Bonds4

About 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 38112868) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID38112868
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c1-9-14(10(2)21(3)20-9)19-13(22)8-23-12-6-4-5-11(7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyXHCURVHPAGDQPJ-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-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 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 38112868) is 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is XHCURVHPAGDQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9-14(10(2)21(3)20-9)19-13(22)8-23-12-6-4-5-11(7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,22).
What are the key properties of 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 327.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 38112868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).