7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C23H18F3N5O2 — CID 145008272

About 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 145008272) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 145008272
• Molecular Formula: C23H18F3N5O2
• Molecular Weight: 453.42 g/mol
• Exact Mass: 453.14
• IUPAC Name: 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: Cc1cc(N2CC(C)n3ncc(-c4cc(-c5ccccn5)no4)c3C2=O)ccc1C(F)(F)F
• InChI: InChI=1S/C23H18F3N5O2/c1-13-9-15(6-7-17(13)23(24,25)26)30-12-14(2)31-21(22(30)32)16(11-28-31)20-10-19(29-33-20)18-5-3-4-8-27-18/h3-11,14H,12H2,1-2H3
• InChIKey: DMJHXKFDGPPVCA-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.42
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 145008272) is 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(N2CC(C)n3ncc(-c4cc(-c5ccccn5)no4)c3C2=O)ccc1C(F)(F)F.

What is the InChIKey of 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is DMJHXKFDGPPVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-13-9-15(6-7-17(13)23(24,25)26)30-12-14(2)31-21(22(30)32)16(11-28-31)20-10-19(29-33-20)18-5-3-4-8-27-18/h3-11,14H,12H2,1-2H3.

What are the key properties of 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 453.42 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 145008272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).