N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine

C25H23F3N8O2 — CID 46212612

About N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine

N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine (PubChem CID 46212612) has the molecular formula C25H23F3N8O2 and a molecular weight of 524.51 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
• PubChem CID: 46212612
• Molecular Formula: C25H23F3N8O2
• Molecular Weight: 524.51 g/mol
• Exact Mass: 524.19
• IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
• SMILES: CCn1cc(CNc2cc(Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cc3C)ccn2)cn1
• InChI: InChI=1S/C25H23F3N8O2/c1-3-35-14-18(13-31-35)12-30-22-11-17(8-9-29-22)15-36-16(2)10-21(33-36)24-32-23(34-38-24)19-4-6-20(7-5-19)37-25(26,27)28/h4-11,13-14H,3,12,15H2,1-2H3,(H,29,30)
• InChIKey: VVWMMACZYGSYQK-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 108.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.51
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?

The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine (CID 46212612) is N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine.

What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?

The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine is CCn1cc(CNc2cc(Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cc3C)ccn2)cn1.

What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?

The InChIKey is VVWMMACZYGSYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N8O2/c1-3-35-14-18(13-31-35)12-30-22-11-17(8-9-29-22)15-36-16(2)10-21(33-36)24-32-23(34-38-24)19-4-6-20(7-5-19)37-25(26,27)28/h4-11,13-14H,3,12,15H2,1-2H3,(H,29,30).

What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?

N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine has a molecular weight of 524.51 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 46212612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).