(7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H17ClFN3O2 — CID 122190319

About (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190319) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 122190319
• Molecular Formula: C20H17ClFN3O2
• Molecular Weight: 385.83 g/mol
• Exact Mass: 385.10
• IUPAC Name: (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3Cl)nn21
• InChI: InChI=1S/C20H17ClFN3O2/c1-13-11-24(16-8-6-14(22)7-9-16)20(26)18-10-15(23-25(13)18)12-27-19-5-3-2-4-17(19)21/h2-10,13H,11-12H2,1H3/t13-/m1/s1
• InChIKey: MFXBAYYVDUZZGK-CYBMUJFWSA-N
• XLogP: 4.48
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.83
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190319) is (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3Cl)nn21.

What is the InChIKey of (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is MFXBAYYVDUZZGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-13-11-24(16-8-6-14(22)7-9-16)20(26)18-10-15(23-25(13)18)12-27-19-5-3-2-4-17(19)21/h2-10,13H,11-12H2,1H3/t13-/m1/s1.

What are the key properties of (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 385.83 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[(2-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).