2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide

C24H24F3N3O3 — CID 24551164

IUPAC2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide
SMILESCc1ccc(OCCN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1
InChIInChI=1S/C24H24F3N3O3/c1-15-8-10-20(11-9-15)33-13-12-29(4)23(32)22(31)21-16(2)28-30(17(21)3)19-7-5-6-18(14-19)24(25,26)27/h5-11,14H,12-13H2,1-4H3
InChIKeyFLEZPOOOJPOKGA-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.54
Rot. Bonds7

About 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide (PubChem CID 24551164) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide
PubChem CID24551164
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide
SMILESCc1ccc(OCCN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1
InChIInChI=1S/C24H24F3N3O3/c1-15-8-10-20(11-9-15)33-13-12-29(4)23(32)22(31)21-16(2)28-30(17(21)3)19-7-5-6-18(14-19)24(25,26)27/h5-11,14H,12-13H2,1-4H3
InChIKeyFLEZPOOOJPOKGA-UHFFFAOYSA-N
XLogP4.54
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56522316
N-[(3-chlorophenyl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide
CID 24545214
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate
CID 7131608
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 24538405
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide
CID 38148105
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 137294415
N-[(2,5-dimethoxyphenyl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46542117
N-[6-(dimethylamino)-3-pyridinyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 30296091
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 167844133
N-[(3-cyanophenyl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-prop-2-enylacetamide
CID 60599777
1-(3,5-dimethylpiperidin-1-yl)-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethane-1,2-dione
CID 46651984
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46592151

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide (CID 24551164) is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide is Cc1ccc(OCCN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1.
What is the InChIKey of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide?
The InChIKey is FLEZPOOOJPOKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-15-8-10-20(11-9-15)33-13-12-29(4)23(32)22(31)21-16(2)28-30(17(21)3)19-7-5-6-18(14-19)24(25,26)27/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide?
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide has a molecular weight of 459.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxoacetamide is sourced from PubChem (CID 24551164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).