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

C13H13F3N4O2 — CID 39041720

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n(C)n1
InChIInChI=1S/C13H13F3N4O2/c1-8-6-10(19(2)18-8)17-11(21)7-20-5-3-4-9(12(20)22)13(14,15)16/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeyTWBHTGKZDBCKDH-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.55
Rot. Bonds3

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

N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 39041720) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID39041720
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n(C)n1
InChIInChI=1S/C13H13F3N4O2/c1-8-6-10(19(2)18-8)17-11(21)7-20-5-3-4-9(12(20)22)13(14,15)16/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeyTWBHTGKZDBCKDH-UHFFFAOYSA-N
XLogP1.55
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 39041720) is N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is TWBHTGKZDBCKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-8-6-10(19(2)18-8)17-11(21)7-20-5-3-4-9(12(20)22)13(14,15)16/h3-6H,7H2,1-2H3,(H,17,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 314.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 39041720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).