2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide

C19H21FN6O2 — CID 91791372

About 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide

2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (PubChem CID 91791372) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
• PubChem CID: 91791372
• Molecular Formula: C19H21FN6O2
• Molecular Weight: 384.42 g/mol
• Exact Mass: 384.17
• IUPAC Name: 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
• SMILES: COc1cccc(C(=O)NC2CC(c3nnc(Cn4cccn4)n3C)C2)c1F
• InChI: InChI=1S/C19H21FN6O2/c1-25-16(11-26-8-4-7-21-26)23-24-18(25)12-9-13(10-12)22-19(27)14-5-3-6-15(28-2)17(14)20/h3-8,12-13H,9-11H2,1-2H3,(H,22,27)
• InChIKey: HPJAHVPABRJHLK-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.42
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (CID 91791372) is 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.

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

The canonical SMILES for 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is COc1cccc(C(=O)NC2CC(c3nnc(Cn4cccn4)n3C)C2)c1F.

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

The InChIKey is HPJAHVPABRJHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-25-16(11-26-8-4-7-21-26)23-24-18(25)12-9-13(10-12)22-19(27)14-5-3-6-15(28-2)17(14)20/h3-8,12-13H,9-11H2,1-2H3,(H,22,27).

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

2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide has a molecular weight of 384.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is sourced from PubChem (CID 91791372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).