5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C21H20F2N4O2 — CID 118575157

About 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575157) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 118575157
• Molecular Formula: C21H20F2N4O2
• Molecular Weight: 398.41 g/mol
• Exact Mass: 398.16
• IUPAC Name: 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1ccc(N(C)Cc2cc3n(n2)CCN(c2cc(F)cc(F)c2)C3=O)cc1
• InChI: InChI=1S/C21H20F2N4O2/c1-25(17-3-5-19(29-2)6-4-17)13-16-12-20-21(28)26(7-8-27(20)24-16)18-10-14(22)9-15(23)11-18/h3-6,9-12H,7-8,13H2,1-2H3
• InChIKey: OLKPEIUWISYZTF-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.41
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575157) is 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(N(C)Cc2cc3n(n2)CCN(c2cc(F)cc(F)c2)C3=O)cc1.

What is the InChIKey of 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is OLKPEIUWISYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-25(17-3-5-19(29-2)6-4-17)13-16-12-20-21(28)26(7-8-27(20)24-16)18-10-14(22)9-15(23)11-18/h3-6,9-12H,7-8,13H2,1-2H3.

What are the key properties of 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 398.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).