5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one

C20H15BrFN3O2 — CID 125128543

About 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125128543) has the molecular formula C20H15BrFN3O2 and a molecular weight of 428.26 g/mol. Its IUPAC name is 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125128543
• Molecular Formula: C20H15BrFN3O2
• Molecular Weight: 428.26 g/mol
• Exact Mass: 427.03
• IUPAC Name: 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
• SMILES: O=c1c2cc(-c3ccc(F)cc3)nn2ccn1C[C@@H](O)c1cccc(Br)c1
• InChI: InChI=1S/C20H15BrFN3O2/c21-15-3-1-2-14(10-15)19(26)12-24-8-9-25-18(20(24)27)11-17(23-25)13-4-6-16(22)7-5-13/h1-11,19,26H,12H2/t19-/m1/s1
• InChIKey: VPHXJHSYFMUYKD-LJQANCHMSA-N
• XLogP: 3.80
• TPSA: 59.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.26
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 125128543) is 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2ccn1C[C@@H](O)c1cccc(Br)c1.

What is the InChIKey of 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is VPHXJHSYFMUYKD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H15BrFN3O2/c21-15-3-1-2-14(10-15)19(26)12-24-8-9-25-18(20(24)27)11-17(23-25)13-4-6-16(22)7-5-13/h1-11,19,26H,12H2/t19-/m1/s1.

What are the key properties of 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?

5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 428.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).