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

C18H19FN6O2 — CID 91796886

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

5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (PubChem CID 91796886) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.

Molecular Properties

• Compound Name: 5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
• PubChem CID: 91796886
• Molecular Formula: C18H19FN6O2
• Molecular Weight: 370.39 g/mol
• Exact Mass: 370.16
• IUPAC Name: 5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
• SMILES: Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)c2cc(F)ccc2O)C1
• InChI: InChI=1S/C18H19FN6O2/c1-24-16(10-25-6-2-5-20-25)22-23-17(24)11-7-13(8-11)21-18(27)14-9-12(19)3-4-15(14)26/h2-6,9,11,13,26H,7-8,10H2,1H3,(H,21,27)
• InChIKey: UHYGBLZMFLUJQD-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 97.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.39
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (CID 91796886) is 5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.

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

The canonical SMILES for 5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)c2cc(F)ccc2O)C1.

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

The InChIKey is UHYGBLZMFLUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-24-16(10-25-6-2-5-20-25)22-23-17(24)11-7-13(8-11)21-18(27)14-9-12(19)3-4-15(14)26/h2-6,9,11,13,26H,7-8,10H2,1H3,(H,21,27).

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

5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide has a molecular weight of 370.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is sourced from PubChem (CID 91796886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).