N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide

C21H20F3N3O3 — CID 24889856

IUPACN-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnn1C
InChIInChI=1S/C21H20F3N3O3/c1-27-18(8-9-25-27)17-13-16(6-7-19(17)30-11-10-29-2)26-20(28)14-4-3-5-15(12-14)21(22,23)24/h3-9,12-13H,10-11H2,1-2H3,(H,26,28)
InChIKeyCJNRCOWLIRPSLZ-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.38
Rot. Bonds7

About N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24889856) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID24889856
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnn1C
InChIInChI=1S/C21H20F3N3O3/c1-27-18(8-9-25-27)17-13-16(6-7-19(17)30-11-10-29-2)26-20(28)14-4-3-5-15(12-14)21(22,23)24/h3-9,12-13H,10-11H2,1-2H3,(H,26,28)
InChIKeyCJNRCOWLIRPSLZ-UHFFFAOYSA-N
XLogP4.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928410
N-[3-(2-methylpyrazol-3-yl)-4-(3-morpholin-4-ylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 66928026
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 46833683
N-[3-(2-methylpyrazol-3-yl)-4-[2-[4-(2-oxoethyl)piperazin-1-yl]ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 91385964
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336
N-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928204
N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66928046
N-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 66927982
N-[2-(hydroxymethyl)-7-(2-methylpyrazol-3-yl)-1-benzofuran-5-yl]-3-(trifluoromethyl)benzamide
CID 24961962
3-bromo-N-[3-(2-ethylpyrazol-3-yl)-4-(2-methoxyethoxy)phenyl]benzamide
CID 129206030
N-[4-(2-amino-2-methylpropoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethoxy)benzamide
CID 66829318
N-[4-[2-(2-aminoethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
CID 71157866

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 24889856) is N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide is COCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnn1C.
What is the InChIKey of N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CJNRCOWLIRPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-27-18(8-9-25-27)17-13-16(6-7-19(17)30-11-10-29-2)26-20(28)14-4-3-5-15(12-14)21(22,23)24/h3-9,12-13H,10-11H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 419.40 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24889856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).