1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H23F3N4O — CID 4772030

IUPAC1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H23F3N4O/c1-13(2)7-9(8-14(3,4)21-13)19-12(23)10-6-11(15(16,17)18)20-22(10)5/h6,9,21H,7-8H2,1-5H3,(H,19,23)
InChIKeyFREHXJVAKFDQOC-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.48
Rot. Bonds2

About 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4772030) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4772030
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H23F3N4O/c1-13(2)7-9(8-14(3,4)21-13)19-12(23)10-6-11(15(16,17)18)20-22(10)5/h6,9,21H,7-8H2,1-5H3,(H,19,23)
InChIKeyFREHXJVAKFDQOC-UHFFFAOYSA-N
XLogP2.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4772030) is 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is FREHXJVAKFDQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-13(2)7-9(8-14(3,4)21-13)19-12(23)10-6-11(15(16,17)18)20-22(10)5/h6,9,21H,7-8H2,1-5H3,(H,19,23).
What are the key properties of 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4772030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).