3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine

C28H26F6N10 — CID 88532650

About 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine

3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine (PubChem CID 88532650) has the molecular formula C28H26F6N10 and a molecular weight of 616.57 g/mol. Its IUPAC name is 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine.

Molecular Properties

• Compound Name: 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine
• PubChem CID: 88532650
• Molecular Formula: C28H26F6N10
• Molecular Weight: 616.57 g/mol
• Exact Mass: 616.22
• IUPAC Name: 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine
• SMILES: Cc1c(-c2nccn2-c2cccnc2)cnn1CC(F)(F)F.Cc1c(C2=NCCN2c2cccnc2)cnn1CC(F)(F)F
• InChI: InChI=1S/C14H14F3N5.C14H12F3N5/c2*1-10-12(8-20-22(10)9-14(15,16)17)13-19-5-6-21(13)11-3-2-4-18-7-11/h2-4,7-8H,5-6,9H2,1H3;2-8H,9H2,1H3
• InChIKey: HSYIOHOJGAEHIV-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 94.84 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.57
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine?

The IUPAC name of 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine (CID 88532650) is 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine.

What is the SMILES notation for 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine?

The canonical SMILES for 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine is Cc1c(-c2nccn2-c2cccnc2)cnn1CC(F)(F)F.Cc1c(C2=NCCN2c2cccnc2)cnn1CC(F)(F)F.

What is the InChIKey of 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine?

The InChIKey is HSYIOHOJGAEHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5.C14H12F3N5/c2*1-10-12(8-20-22(10)9-14(15,16)17)13-19-5-6-21(13)11-3-2-4-18-7-11/h2-4,7-8H,5-6,9H2,1H3;2-8H,9H2,1H3.

What are the key properties of 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine?

3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine has a molecular weight of 616.57 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5-dihydroimidazol-1-yl]pyridine;3-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-1-yl]pyridine is sourced from PubChem (CID 88532650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).