2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

C15H16F3N3O2 — CID 95741112

IUPAC2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cnn(CC(F)(F)F)c2)c1
InChIInChI=1S/C15H16F3N3O2/c1-10-3-11(2)5-13(4-10)23-8-14(22)20-12-6-19-21(7-12)9-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKeyUHNNHRUGJOTNBQ-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.08
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (PubChem CID 95741112) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
PubChem CID95741112
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cnn(CC(F)(F)F)c2)c1
InChIInChI=1S/C15H16F3N3O2/c1-10-3-11(2)5-13(4-10)23-8-14(22)20-12-6-19-21(7-12)9-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKeyUHNNHRUGJOTNBQ-UHFFFAOYSA-N
XLogP3.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-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

Related Compounds

3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741219
3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 95741259
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19340669
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744497

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (CID 95741112) is 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2cnn(CC(F)(F)F)c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The InChIKey is UHNNHRUGJOTNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-3-11(2)5-13(4-10)23-8-14(22)20-12-6-19-21(7-12)9-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 95741112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).