2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide

C9H11F3N4O — CID 84581348

IUPAC2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide
SMILESCN1CCc2c(NC(=O)C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C9H11F3N4O/c1-16-3-2-5-6(4-16)14-15-7(5)13-8(17)9(10,11)12/h2-4H2,1H3,(H2,13,14,15,17)
InChIKeyZDAQLQBYGXATBM-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.90
Rot. Bonds1

About 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide

2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide (PubChem CID 84581348) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide
PubChem CID84581348
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide
SMILESCN1CCc2c(NC(=O)C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C9H11F3N4O/c1-16-3-2-5-6(4-16)14-15-7(5)13-8(17)9(10,11)12/h2-4H2,1H3,(H2,13,14,15,17)
InChIKeyZDAQLQBYGXATBM-UHFFFAOYSA-N
XLogP0.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide (CID 84581348) is 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide is CN1CCc2c(NC(=O)C(F)(F)F)n[nH]c2C1.
What is the InChIKey of 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide?
The InChIKey is ZDAQLQBYGXATBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-16-3-2-5-6(4-16)14-15-7(5)13-8(17)9(10,11)12/h2-4H2,1H3,(H2,13,14,15,17).
What are the key properties of 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide?
2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide has a molecular weight of 248.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide is sourced from PubChem (CID 84581348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).