4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide

C15H19F3N6O — CID 91791680

About 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide

4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide (PubChem CID 91791680) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide.

Molecular Properties

• Compound Name: 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
• PubChem CID: 91791680
• Molecular Formula: C15H19F3N6O
• Molecular Weight: 356.35 g/mol
• Exact Mass: 356.16
• IUPAC Name: 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
• SMILES: Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)CCC(F)(F)F)C1
• InChI: InChI=1S/C15H19F3N6O/c1-23-12(9-24-6-2-5-19-24)21-22-14(23)10-7-11(8-10)20-13(25)3-4-15(16,17)18/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,20,25)
• InChIKey: MHIDXDJYNGARNJ-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.35
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?

The IUPAC name of 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide (CID 91791680) is 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide.

What is the SMILES notation for 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?

The canonical SMILES for 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide is Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)CCC(F)(F)F)C1.

What is the InChIKey of 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?

The InChIKey is MHIDXDJYNGARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-23-12(9-24-6-2-5-19-24)21-22-14(23)10-7-11(8-10)20-13(25)3-4-15(16,17)18/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,20,25).

What are the key properties of 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?

4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide has a molecular weight of 356.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,4-trifluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide is sourced from PubChem (CID 91791680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).