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

C13H12ClF3N4O2 — CID 24566356

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n(C)n1
InChIInChI=1S/C13H12ClF3N4O2/c1-7-3-10(20(2)19-7)18-11(22)6-21-5-8(13(15,16)17)4-9(14)12(21)23/h3-5H,6H2,1-2H3,(H,18,22)
InChIKeyYLDKLYZILDGZFD-UHFFFAOYSA-N
MW348.71 g/mol
LogP2.20
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 24566356) has the molecular formula C13H12ClF3N4O2 and a molecular weight of 348.71 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID24566356
Molecular FormulaC13H12ClF3N4O2
Molecular Weight348.71 g/mol
Exact Mass348.06
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n(C)n1
InChIInChI=1S/C13H12ClF3N4O2/c1-7-3-10(20(2)19-7)18-11(22)6-21-5-8(13(15,16)17)4-9(14)12(21)23/h3-5H,6H2,1-2H3,(H,18,22)
InChIKeyYLDKLYZILDGZFD-UHFFFAOYSA-N
XLogP2.20
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
CID 2100498
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 47015092
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 3966797
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-iodophenyl)acetamide
CID 16574639
N-(4-bromo-2-chlorophenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566337
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5001004

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 24566356) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n(C)n1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is YLDKLYZILDGZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O2/c1-7-3-10(20(2)19-7)18-11(22)6-21-5-8(13(15,16)17)4-9(14)12(21)23/h3-5H,6H2,1-2H3,(H,18,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 348.71 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 24566356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).