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

C15H17F3N4O — CID 86908675

IUPAC2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O/c1-9-14(10(2)22(3)21-9)20-13(23)8-19-12-6-4-5-11(7-12)15(16,17)18/h4-7,19H,8H2,1-3H3,(H,20,23)
InChIKeyCLJMNRWEAXCHRG-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.11
Rot. Bonds4

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

2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86908675) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86908675
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O/c1-9-14(10(2)22(3)21-9)20-13(23)8-19-12-6-4-5-11(7-12)15(16,17)18/h4-7,19H,8H2,1-3H3,(H,20,23)
InChIKeyCLJMNRWEAXCHRG-UHFFFAOYSA-N
XLogP3.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(trifluoromethyl)anilino]-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

Related Compounds

N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide
CID 91945715

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86908675) is 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is CLJMNRWEAXCHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9-14(10(2)22(3)21-9)20-13(23)8-19-12-6-4-5-11(7-12)15(16,17)18/h4-7,19H,8H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 326.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86908675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).