2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide

C19H20F3N3O2 — CID 125166887

About 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide

2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide (PubChem CID 125166887) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide
• PubChem CID: 125166887
• Molecular Formula: C19H20F3N3O2
• Molecular Weight: 379.38 g/mol
• Exact Mass: 379.15
• IUPAC Name: 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide
• SMILES: Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2ccc3oc(C)cc3c2)n1
• InChI: InChI=1S/C19H20F3N3O2/c1-11(10-25-17(19(20,21)22)6-12(2)24-25)9-23-18(26)14-4-5-16-15(8-14)7-13(3)27-16/h4-8,11H,9-10H2,1-3H3,(H,23,26)/t11-/m0/s1
• InChIKey: OLMYSDFOMVFNBO-NSHDSACASA-N
• XLogP: 4.33
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.38
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide?

The IUPAC name of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide (CID 125166887) is 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide.

What is the SMILES notation for 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide?

The canonical SMILES for 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide is Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2ccc3oc(C)cc3c2)n1.

What is the InChIKey of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide?

The InChIKey is OLMYSDFOMVFNBO-NSHDSACASA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11(10-25-17(19(20,21)22)6-12(2)24-25)9-23-18(26)14-4-5-16-15(8-14)7-13(3)27-16/h4-8,11H,9-10H2,1-3H3,(H,23,26)/t11-/m0/s1.

What are the key properties of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide?

2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 125166887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).