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

C16H24ClF3N4O — CID 17020930

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H24ClF3N4O/c1-9-12(17)13(16(18,19)20)22-24(9)8-11(25)21-10-6-14(2,3)23-15(4,5)7-10/h10,23H,6-8H2,1-5H3,(H,21,25)
InChIKeyIFFITRASGDEDID-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.29
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 17020930) has the molecular formula C16H24ClF3N4O and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID17020930
Molecular FormulaC16H24ClF3N4O
Molecular Weight380.84 g/mol
Exact Mass380.16
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H24ClF3N4O/c1-9-12(17)13(16(18,19)20)22-24(9)8-11(25)21-10-6-14(2,3)23-15(4,5)7-10/h10,23H,6-8H2,1-5H3,(H,21,25)
InChIKeyIFFITRASGDEDID-UHFFFAOYSA-N
XLogP3.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 17020930) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is IFFITRASGDEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClF3N4O/c1-9-12(17)13(16(18,19)20)22-24(9)8-11(25)21-10-6-14(2,3)23-15(4,5)7-10/h10,23H,6-8H2,1-5H3,(H,21,25).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 380.84 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 17020930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).