N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C21H21F3N4O2 — CID 8943563

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C21H21F3N4O2/c1-14-18(15(2)28(26-14)11-16-6-4-3-5-7-16)10-25-19(29)13-27-12-17(21(22,23)24)8-9-20(27)30/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)
InChIKeyYUYPHWZNZKVYHK-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.05
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 8943563) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID8943563
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C21H21F3N4O2/c1-14-18(15(2)28(26-14)11-16-6-4-3-5-7-16)10-25-19(29)13-27-12-17(21(22,23)24)8-9-20(27)30/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)
InChIKeyYUYPHWZNZKVYHK-UHFFFAOYSA-N
XLogP3.05
TPSA68.92 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 36734127
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 8943774
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 55759911
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24564882
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 41165001
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 55464336
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607454

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 8943563) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is YUYPHWZNZKVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-14-18(15(2)28(26-14)11-16-6-4-3-5-7-16)10-25-19(29)13-27-12-17(21(22,23)24)8-9-20(27)30/h3-9,12H,10-11,13H2,1-2H3,(H,25,29).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 418.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 8943563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).