5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C71H75F7N12O8 — CID 161088527

About 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 161088527) has the molecular formula C71H75F7N12O8 and a molecular weight of 1357.44 g/mol. Its IUPAC name is 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 161088527
• Molecular Formula: C71H75F7N12O8
• Molecular Weight: 1357.44 g/mol
• Exact Mass: 1356.57
• IUPAC Name: 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@H]1C[C@@H]1CN1CCn2nc(COc3ccccc3)cc2C1=O.O=C1c2cc(COc3ccccc3)nn2CCN1CC1(F)CC1.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H](C1CC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CC1)C(F)(F)F
• InChI: InChI=1S/2C18H18F3N3O2.C18H21N3O2.C17H18FN3O2/c2*19-18(20,21)16(12-6-7-12)23-8-9-24-15(17(23)25)10-13(22-24)11-26-14-4-2-1-3-5-14;1-13-9-14(13)11-20-7-8-21-17(18(20)22)10-15(19-21)12-23-16-5-3-2-4-6-16;18-17(6-7-17)12-20-8-9-21-15(16(20)22)10-13(19-21)11-23-14-4-2-1-3-5-14/h2*1-5,10,12,16H,6-9,11H2;2-6,10,13-14H,7-9,11-12H2,1H3;1-5,10H,6-9,11-12H2/t2*16-;13-,14+;/m100./s1
• InChIKey: UGVWLVKPRWEQHR-HGHNVPGGSA-N
• XLogP: 11.51
• TPSA: 189.44 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.44
LogP ≤ 5	11.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 161088527) is 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1C[C@@H]1CN1CCn2nc(COc3ccccc3)cc2C1=O.O=C1c2cc(COc3ccccc3)nn2CCN1CC1(F)CC1.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H](C1CC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CC1)C(F)(F)F.

What is the InChIKey of 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is UGVWLVKPRWEQHR-HGHNVPGGSA-N. The full InChI is InChI=1S/2C18H18F3N3O2.C18H21N3O2.C17H18FN3O2/c2*19-18(20,21)16(12-6-7-12)23-8-9-24-15(17(23)25)10-13(22-24)11-26-14-4-2-1-3-5-14;1-13-9-14(13)11-20-7-8-21-17(18(20)22)10-15(19-21)12-23-16-5-3-2-4-6-16;18-17(6-7-17)12-20-8-9-21-15(16(20)22)10-13(19-21)11-23-14-4-2-1-3-5-14/h2*1-5,10,12,16H,6-9,11H2;2-6,10,13-14H,7-9,11-12H2,1H3;1-5,10H,6-9,11-12H2/t2*16-;13-,14+;/m100./s1.

What are the key properties of 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 1357.44 g/mol, XLogP of 11.51, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 161088527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).