3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide

C15H12F3N7O3 — CID 156585580

About 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 156585580) has the molecular formula C15H12F3N7O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide
• PubChem CID: 156585580
• Molecular Formula: C15H12F3N7O3
• Molecular Weight: 395.30 g/mol
• Exact Mass: 395.10
• IUPAC Name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide
• SMILES: Cn1nc(C(F)(F)F)c2c(NC(=O)CCc3nc(-c4ccco4)no3)[nH]nc21
• InChI: InChI=1S/C15H12F3N7O3/c1-25-14-10(11(23-25)15(16,17)18)13(21-22-14)19-8(26)4-5-9-20-12(24-28-9)7-3-2-6-27-7/h2-3,6H,4-5H2,1H3,(H2,19,21,22,26)
• InChIKey: LLUSXSGPMHCNLN-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 127.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.30
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide?

The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide (CID 156585580) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide.

What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide?

The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide is Cn1nc(C(F)(F)F)c2c(NC(=O)CCc3nc(-c4ccco4)no3)[nH]nc21.

What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide?

The InChIKey is LLUSXSGPMHCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7O3/c1-25-14-10(11(23-25)15(16,17)18)13(21-22-14)19-8(26)4-5-9-20-12(24-28-9)7-3-2-6-27-7/h2-3,6H,4-5H2,1H3,(H2,19,21,22,26).

What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide?

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 395.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 156585580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).