2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C21H21F3N4O2 — CID 46485961

IUPAC2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C21H21F3N4O2/c1-13-17(10-20(29)26-11-15-6-4-5-7-18(15)30-3)14(2)28(27-13)19-9-8-16(12-25-19)21(22,23)24/h4-9,12H,10-11H2,1-3H3,(H,26,29)
InChIKeyPLDGBRCJAFLKNE-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.77
Rot. Bonds6

About 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 46485961) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID46485961
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C21H21F3N4O2/c1-13-17(10-20(29)26-11-15-6-4-5-7-18(15)30-3)14(2)28(27-13)19-9-8-16(12-25-19)21(22,23)24/h4-9,12H,10-11H2,1-3H3,(H,26,29)
InChIKeyPLDGBRCJAFLKNE-UHFFFAOYSA-N
XLogP3.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047947
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]acetamide;N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]acetamide
CID 87211215
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9436693
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55512413
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 46485961) is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is PLDGBRCJAFLKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-13-17(10-20(29)26-11-15-6-4-5-7-18(15)30-3)14(2)28(27-13)19-9-8-16(12-25-19)21(22,23)24/h4-9,12H,10-11H2,1-3H3,(H,26,29).
What are the key properties of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 418.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46485961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).