2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide

C14H14ClF3N4O2 — CID 4774165

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1
InChIInChI=1S/C14H14ClF3N4O2/c1-7-4-8(2)22(11(24)5-7)19-10(23)6-21-9(3)12(15)13(20-21)14(16,17)18/h4-5H,6H2,1-3H3,(H,19,23)
InChIKeyZNJHNCLJBMKRGQ-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.41
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide (PubChem CID 4774165) has the molecular formula C14H14ClF3N4O2 and a molecular weight of 362.74 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
PubChem CID4774165
Molecular FormulaC14H14ClF3N4O2
Molecular Weight362.74 g/mol
Exact Mass362.08
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1
InChIInChI=1S/C14H14ClF3N4O2/c1-7-4-8(2)22(11(24)5-7)19-10(23)6-21-9(3)12(15)13(20-21)14(16,17)18/h4-5H,6H2,1-3H3,(H,19,23)
InChIKeyZNJHNCLJBMKRGQ-UHFFFAOYSA-N
XLogP2.41
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide (CID 4774165) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide is Cc1cc(C)n(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The InChIKey is ZNJHNCLJBMKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O2/c1-7-4-8(2)22(11(24)5-7)19-10(23)6-21-9(3)12(15)13(20-21)14(16,17)18/h4-5H,6H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide has a molecular weight of 362.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 4774165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).