1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone

C23H22ClF3N6O — CID 162378667

About 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone

1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone (PubChem CID 162378667) has the molecular formula C23H22ClF3N6O and a molecular weight of 490.92 g/mol. Its IUPAC name is 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone
• PubChem CID: 162378667
• Molecular Formula: C23H22ClF3N6O
• Molecular Weight: 490.92 g/mol
• Exact Mass: 490.15
• IUPAC Name: 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone
• SMILES: CCn1cc(C(F)(F)F)nc1-c1ccc(CC(=O)c2cc(-c3c(Cl)cnn3C(C)C)n[nH]2)cc1
• InChI: InChI=1S/C23H22ClF3N6O/c1-4-32-12-20(23(25,26)27)29-22(32)15-7-5-14(6-8-15)9-19(34)17-10-18(31-30-17)21-16(24)11-28-33(21)13(2)3/h5-8,10-13H,4,9H2,1-3H3,(H,30,31)
• InChIKey: LHCFBRHUUGWEBZ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 81.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.92
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone?

The IUPAC name of 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone (CID 162378667) is 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone.

What is the SMILES notation for 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone?

The canonical SMILES for 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone is CCn1cc(C(F)(F)F)nc1-c1ccc(CC(=O)c2cc(-c3c(Cl)cnn3C(C)C)n[nH]2)cc1.

What is the InChIKey of 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone?

The InChIKey is LHCFBRHUUGWEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O/c1-4-32-12-20(23(25,26)27)29-22(32)15-7-5-14(6-8-15)9-19(34)17-10-18(31-30-17)21-16(24)11-28-33(21)13(2)3/h5-8,10-13H,4,9H2,1-3H3,(H,30,31).

What are the key properties of 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone?

1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone has a molecular weight of 490.92 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 162378667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).