4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine

C30H24N6O — CID 140729544

About 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine

4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine (PubChem CID 140729544) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine.

Molecular Properties

• Compound Name: 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine
• PubChem CID: 140729544
• Molecular Formula: C30H24N6O
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.20
• IUPAC Name: 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine
• SMILES: Cc1nn(-c2cccc(Oc3cccc(-n4cc(-c5ccncc5)cn4)c3)c2)c(C)c1-c1ccncc1
• InChI: InChI=1S/C30H24N6O/c1-21-30(24-11-15-32-16-12-24)22(2)36(34-21)27-6-4-8-29(18-27)37-28-7-3-5-26(17-28)35-20-25(19-33-35)23-9-13-31-14-10-23/h3-20H,1-2H3
• InChIKey: BZGKZPVHJDSWFI-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine?

The IUPAC name of 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine (CID 140729544) is 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine.

What is the SMILES notation for 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine?

The canonical SMILES for 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine is Cc1nn(-c2cccc(Oc3cccc(-n4cc(-c5ccncc5)cn4)c3)c2)c(C)c1-c1ccncc1.

What is the InChIKey of 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine?

The InChIKey is BZGKZPVHJDSWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O/c1-21-30(24-11-15-32-16-12-24)22(2)36(34-21)27-6-4-8-29(18-27)37-28-7-3-5-26(17-28)35-20-25(19-33-35)23-9-13-31-14-10-23/h3-20H,1-2H3.

What are the key properties of 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine?

4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine has a molecular weight of 484.56 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine is sourced from PubChem (CID 140729544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).