3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C17H20F3N7O — CID 30184721

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C17H20F3N7O/c1-9(2)26-13(7-8-21-26)23-14(28)6-5-12-10(3)22-16-24-15(17(18,19)20)25-27(16)11(12)4/h7-9H,5-6H2,1-4H3,(H,23,28)
InChIKeyPXLLKZASTXGNJV-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.11
Rot. Bonds5

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30184721) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30184721
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C17H20F3N7O/c1-9(2)26-13(7-8-21-26)23-14(28)6-5-12-10(3)22-16-24-15(17(18,19)20)25-27(16)11(12)4/h7-9H,5-6H2,1-4H3,(H,23,28)
InChIKeyPXLLKZASTXGNJV-UHFFFAOYSA-N
XLogP3.11
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30184721) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is PXLLKZASTXGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-9(2)26-13(7-8-21-26)23-14(28)6-5-12-10(3)22-16-24-15(17(18,19)20)25-27(16)11(12)4/h7-9H,5-6H2,1-4H3,(H,23,28).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 395.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30184721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).