(7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C19H16F2N4O — CID 125127048

About (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127048) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125127048
• Molecular Formula: C19H16F2N4O
• Molecular Weight: 354.36 g/mol
• Exact Mass: 354.13
• IUPAC Name: (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: O=C1NC[C@@H](NCc2ccccc2F)n2nc(-c3ccc(F)cc3)cc21
• InChI: InChI=1S/C19H16F2N4O/c20-14-7-5-12(6-8-14)16-9-17-19(26)23-11-18(25(17)24-16)22-10-13-3-1-2-4-15(13)21/h1-9,18,22H,10-11H2,(H,23,26)/t18-/m0/s1
• InChIKey: KMNBBYCZLOFDMU-SFHVURJKSA-N
• XLogP: 2.86
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.36
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125127048) is (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@@H](NCc2ccccc2F)n2nc(-c3ccc(F)cc3)cc21.

What is the InChIKey of (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is KMNBBYCZLOFDMU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-14-7-5-12(6-8-14)16-9-17-19(26)23-11-18(25(17)24-16)22-10-13-3-1-2-4-15(13)21/h1-9,18,22H,10-11H2,(H,23,26)/t18-/m0/s1.

What are the key properties of (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

(7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 354.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-(4-fluorophenyl)-7-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).