5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide

C21H22N6O2 — CID 19467777

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide (PubChem CID 19467777) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
• PubChem CID: 19467777
• Molecular Formula: C21H22N6O2
• Molecular Weight: 390.45 g/mol
• Exact Mass: 390.18
• IUPAC Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
• SMILES: Cc1cccc(Cn2cnc(NC(=O)c3ccc(Cn4nc(C)cc4C)o3)n2)c1
• InChI: InChI=1S/C21H22N6O2/c1-14-5-4-6-17(9-14)11-26-13-22-21(25-26)23-20(28)19-8-7-18(29-19)12-27-16(3)10-15(2)24-27/h4-10,13H,11-12H2,1-3H3,(H,23,25,28)
• InChIKey: ADBYYXCHSALJCJ-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 90.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.45
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide?

The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide (CID 19467777) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3ccc(Cn4nc(C)cc4C)o3)n2)c1.

What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide?

The InChIKey is ADBYYXCHSALJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-5-4-6-17(9-14)11-26-13-22-21(25-26)23-20(28)19-8-7-18(29-19)12-27-16(3)10-15(2)24-27/h4-10,13H,11-12H2,1-3H3,(H,23,25,28).

What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide?

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19467777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).