5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C107H105F4N25O13 — CID 160754531

About 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 160754531) has the molecular formula C107H105F4N25O13 and a molecular weight of 2025.17 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 160754531
• Molecular Formula: C107H105F4N25O13
• Molecular Weight: 2025.17 g/mol
• Exact Mass: 2023.83
• IUPAC Name: 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1nccnc1N1CCn2nc(OCc3ccccc3)cc2C1=O.Cc1cccc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1cncc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1nc(N2CCn3nc(OCc4ccccc4)cc3C2=O)ncc1F.O=C1c2cc(OCc3ccccc3)nn2CCCN1CC1CC1.O=C1c2cc(OCc3ccccc3)nn2CCN1CC(F)(F)F
• InChI: InChI=1S/C20H20N4O2.C18H16FN5O2.C18H17N5O3.C18H17N5O2.C18H21N3O2.C15H14F3N3O2/c1-15-7-5-10-18(21-15)23-11-6-12-24-17(20(23)25)13-19(22-24)26-14-16-8-3-2-4-9-16;1-12-14(19)10-20-18(21-12)23-7-8-24-15(17(23)25)9-16(22-24)26-11-13-5-3-2-4-6-13;1-25-17-16(19-7-8-20-17)22-9-10-23-14(18(22)24)11-15(21-23)26-12-13-5-3-2-4-6-13;1-13-10-19-11-16(20-13)22-7-8-23-15(18(22)24)9-17(21-23)25-12-14-5-3-2-4-6-14;22-18-16-11-17(23-13-15-5-2-1-3-6-15)19-21(16)10-4-9-20(18)12-14-7-8-14;16-15(17,18)10-20-6-7-21-12(14(20)22)8-13(19-21)23-9-11-4-2-1-3-5-11/h2-5,7-10,13H,6,11-12,14H2,1H3;2-6,9-10H,7-8,11H2,1H3;2-8,11H,9-10,12H2,1H3;2-6,9-11H,7-8,12H2,1H3;1-3,5-6,11,14H,4,7-10,12-13H2;1-5,8H,6-7,9-10H2
• InChIKey: RXGJIRTZFUVQJV-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 383.62 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.17
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 160754531) is 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1nccnc1N1CCn2nc(OCc3ccccc3)cc2C1=O.Cc1cccc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1cncc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1nc(N2CCn3nc(OCc4ccccc4)cc3C2=O)ncc1F.O=C1c2cc(OCc3ccccc3)nn2CCCN1CC1CC1.O=C1c2cc(OCc3ccccc3)nn2CCN1CC(F)(F)F.

What is the InChIKey of 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is RXGJIRTZFUVQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.C18H16FN5O2.C18H17N5O3.C18H17N5O2.C18H21N3O2.C15H14F3N3O2/c1-15-7-5-10-18(21-15)23-11-6-12-24-17(20(23)25)13-19(22-24)26-14-16-8-3-2-4-9-16;1-12-14(19)10-20-18(21-12)23-7-8-24-15(17(23)25)9-16(22-24)26-11-13-5-3-2-4-6-13;1-25-17-16(19-7-8-20-17)22-9-10-23-14(18(22)24)11-15(21-23)26-12-13-5-3-2-4-6-13;1-13-10-19-11-16(20-13)22-7-8-23-15(18(22)24)9-17(21-23)25-12-14-5-3-2-4-6-14;22-18-16-11-17(23-13-15-5-2-1-3-6-15)19-21(16)10-4-9-20(18)12-14-7-8-14;16-15(17,18)10-20-6-7-21-12(14(20)22)8-13(19-21)23-9-11-4-2-1-3-5-11/h2-5,7-10,13H,6,11-12,14H2,1H3;2-6,9-10H,7-8,11H2,1H3;2-8,11H,9-10,12H2,1H3;2-6,9-11H,7-8,12H2,1H3;1-3,5-6,11,14H,4,7-10,12-13H2;1-5,8H,6-7,9-10H2.

What are the key properties of 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2025.17 g/mol, XLogP of 14.92, 26 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methoxypyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methylpyrazin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;2-phenylmethoxy-5-(2,2,2-trifluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 160754531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).