4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

C100H114F5N15O13 — CID 161412027

About 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 161412027) has the molecular formula C100H114F5N15O13 and a molecular weight of 1829.09 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

• Compound Name: 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
• PubChem CID: 161412027
• Molecular Formula: C100H114F5N15O13
• Molecular Weight: 1829.09 g/mol
• Exact Mass: 1827.86
• IUPAC Name: 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
• SMILES: CC(C)(C)C(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CC(F)(F)CCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CCC(C)C(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CO[C@](OCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1)(c1ccccc1)C(F)(F)F.O=C(COCc1ccccc1)N1CCn2nc(OCc3ccccc3)cc2C1
• InChI: InChI=1S/C24H24F3N3O4.C22H23N3O3.C18H21F2N3O2.2C18H23N3O2/c1-32-23(24(25,26)27,19-10-6-3-7-11-19)34-17-22(31)29-12-13-30-20(15-29)14-21(28-30)33-16-18-8-4-2-5-9-18;26-22(17-27-15-18-7-3-1-4-8-18)24-11-12-25-20(14-24)13-21(23-25)28-16-19-9-5-2-6-10-19;1-18(19,20)8-7-17(24)22-9-10-23-15(12-22)11-16(21-23)25-13-14-5-3-2-4-6-14;1-18(2,3)17(22)20-9-10-21-15(12-20)11-16(19-21)23-13-14-7-5-4-6-8-14;1-3-14(2)18(22)20-9-10-21-16(12-20)11-17(19-21)23-13-15-7-5-4-6-8-15/h2-11,14H,12-13,15-17H2,1H3;1-10,13H,11-12,14-17H2;2-6,11H,7-10,12-13H2,1H3;4-8,11H,9-10,12-13H2,1-3H3;4-8,11,14H,3,9-10,12-13H2,1-2H3/t23-;;;;/m0..../s1
• InChIKey: VVPARDKXKSMNJL-DOXBVADSSA-N
• XLogP: 15.84
• TPSA: 264.49 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.09
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?

The IUPAC name of 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 161412027) is 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

What is the SMILES notation for 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?

The canonical SMILES for 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is CC(C)(C)C(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CC(F)(F)CCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CCC(C)C(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CO[C@](OCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1)(c1ccccc1)C(F)(F)F.O=C(COCc1ccccc1)N1CCn2nc(OCc3ccccc3)cc2C1.

What is the InChIKey of 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?

The InChIKey is VVPARDKXKSMNJL-DOXBVADSSA-N. The full InChI is InChI=1S/C24H24F3N3O4.C22H23N3O3.C18H21F2N3O2.2C18H23N3O2/c1-32-23(24(25,26)27,19-10-6-3-7-11-19)34-17-22(31)29-12-13-30-20(15-29)14-21(28-30)33-16-18-8-4-2-5-9-18;26-22(17-27-15-18-7-3-1-4-8-18)24-11-12-25-20(14-24)13-21(23-25)28-16-19-9-5-2-6-10-19;1-18(19,20)8-7-17(24)22-9-10-23-15(12-22)11-16(21-23)25-13-14-5-3-2-4-6-14;1-18(2,3)17(22)20-9-10-21-15(12-20)11-16(19-21)23-13-14-7-5-4-6-8-14;1-3-14(2)18(22)20-9-10-21-16(12-20)11-17(19-21)23-13-15-7-5-4-6-8-15/h2-11,14H,12-13,15-17H2,1H3;1-10,13H,11-12,14-17H2;2-6,11H,7-10,12-13H2,1H3;4-8,11H,9-10,12-13H2,1-3H3;4-8,11,14H,3,9-10,12-13H2,1-2H3/t23-;;;;/m0..../s1.

What are the key properties of 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?

4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 1829.09 g/mol, XLogP of 15.84, 29 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2,2-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one;2-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(1S)-2,2,2-trifluoro-1-methoxy-1-phenylethoxy]ethanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is sourced from PubChem (CID 161412027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).