2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide

C21H19F4N3O — CID 25106146

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C21H19F4N3O/c1-13-17(14(2)28(27-13)16-6-4-3-5-7-16)11-20(29)26-12-15-8-9-19(22)18(10-15)21(23,24)25/h3-10H,11-12H2,1-2H3,(H,26,29)
InChIKeyXVMJSSHJMLJKPI-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.51
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 25106146) has the molecular formula C21H19F4N3O and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID25106146
Molecular FormulaC21H19F4N3O
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C21H19F4N3O/c1-13-17(14(2)28(27-13)16-6-4-3-5-7-16)11-20(29)26-12-15-8-9-19(22)18(10-15)21(23,24)25/h3-10H,11-12H2,1-2H3,(H,26,29)
InChIKeyXVMJSSHJMLJKPI-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide (CID 25106146) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is XVMJSSHJMLJKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O/c1-13-17(14(2)28(27-13)16-6-4-3-5-7-16)11-20(29)26-12-15-8-9-19(22)18(10-15)21(23,24)25/h3-10H,11-12H2,1-2H3,(H,26,29).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 405.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 25106146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).