N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide

C26H20F3N3O — CID 92773243

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide (PubChem CID 92773243) has the molecular formula C26H20F3N3O and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
• PubChem CID: 92773243
• Molecular Formula: C26H20F3N3O
• Molecular Weight: 447.46 g/mol
• Exact Mass: 447.16
• IUPAC Name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
• SMILES: O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1
• InChI: InChI=1S/C26H20F3N3O/c27-26(28,29)20-6-3-5-19(14-20)24-15-23(31-32-24)17-8-10-18(11-9-17)25(33)30-22-13-12-16-4-1-2-7-21(16)22/h1-11,14-15,22H,12-13H2,(H,30,33)(H,31,32)/t22-/m1/s1
• InChIKey: PKDQYDYGHXHAIL-JOCHJYFZSA-N
• XLogP: 6.18
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.46
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide (CID 92773243) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide.

What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide is O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1.

What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

The InChIKey is PKDQYDYGHXHAIL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H20F3N3O/c27-26(28,29)20-6-3-5-19(14-20)24-15-23(31-32-24)17-8-10-18(11-9-17)25(33)30-22-13-12-16-4-1-2-7-21(16)22/h1-11,14-15,22H,12-13H2,(H,30,33)(H,31,32)/t22-/m1/s1.

What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 92773243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).