4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C25H18F3N5O — CID 17198113

About 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 17198113) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

• Compound Name: 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
• PubChem CID: 17198113
• Molecular Formula: C25H18F3N5O
• Molecular Weight: 461.45 g/mol
• Exact Mass: 461.15
• IUPAC Name: 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
• SMILES: Cc1nn2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)nnc2c1-c1cccc2ccccc12
• InChI: InChI=1S/C25H18F3N5O/c1-14-21(20-12-5-8-16-7-3-4-11-19(16)20)23-31-30-22(15(2)33(23)32-14)24(34)29-18-10-6-9-17(13-18)25(26,27)28/h3-13H,1-2H3,(H,29,34)
• InChIKey: CYIWMIXBSWEPHB-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.45
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?

The IUPAC name of 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 17198113) is 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

What is the SMILES notation for 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?

The canonical SMILES for 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1nn2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)nnc2c1-c1cccc2ccccc12.

What is the InChIKey of 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?

The InChIKey is CYIWMIXBSWEPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c1-14-21(20-12-5-8-16-7-3-4-11-19(16)20)23-31-30-22(15(2)33(23)32-14)24(34)29-18-10-6-9-17(13-18)25(26,27)28/h3-13H,1-2H3,(H,29,34).

What are the key properties of 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?

4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-8-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 17198113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).