tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione

C63H74Cl2F2IN17O13 — CID 158794483

About tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione

tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione (PubChem CID 158794483) has the molecular formula C63H74Cl2F2IN17O13 and a molecular weight of 1513.20 g/mol. Its IUPAC name is tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione.

Molecular Properties

• Compound Name: tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione
• PubChem CID: 158794483
• Molecular Formula: C63H74Cl2F2IN17O13
• Molecular Weight: 1513.20 g/mol
• Exact Mass: 1511.40
• IUPAC Name: tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione
• SMILES: CC1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.CC1Cn2ncc(N3CC(=O)NCC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.CC1Cn2ncc(N3CC(=O)NCC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1.O=C1CNC(=O)CN1
• InChI: InChI=1S/C18H18ClFN6O3.C16H23N5O4.C13H9ClFNO2.C12H18IN3O2.C4H6N2O2/c1-10-7-26-15(14(5-22-26)25-9-16(27)21-6-17(25)28)8-24(10)18(29)23-11-2-3-13(20)12(19)4-11;1-10-7-21-12(8-19(10)15(24)25-16(2,3)4)11(5-18-21)20-9-13(22)17-6-14(20)23;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;7-3-1-5-4(8)2-6-3/h2-5,10H,6-9H2,1H3,(H,21,27)(H,23,29);5,10H,6-9H2,1-4H3,(H,17,22);1-8H,(H,16,17);5,8H,6-7H2,1-4H3;1-2H2,(H,5,8)(H,6,7)
• InChIKey: ISRRFLJBILPKIT-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 340.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 5
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1513.20
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione?

The IUPAC name of tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione (CID 158794483) is tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione.

What is the SMILES notation for tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione?

The canonical SMILES for tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione is CC1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.CC1Cn2ncc(N3CC(=O)NCC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.CC1Cn2ncc(N3CC(=O)NCC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1.O=C1CNC(=O)CN1.

What is the InChIKey of tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione?

The InChIKey is ISRRFLJBILPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O3.C16H23N5O4.C13H9ClFNO2.C12H18IN3O2.C4H6N2O2/c1-10-7-26-15(14(5-22-26)25-9-16(27)21-6-17(25)28)8-24(10)18(29)23-11-2-3-13(20)12(19)4-11;1-10-7-21-12(8-19(10)15(24)25-16(2,3)4)11(5-18-21)20-9-13(22)17-6-14(20)23;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;7-3-1-5-4(8)2-6-3/h2-5,10H,6-9H2,1H3,(H,21,27)(H,23,29);5,10H,6-9H2,1-4H3,(H,17,22);1-8H,(H,16,17);5,8H,6-7H2,1-4H3;1-2H2,(H,5,8)(H,6,7).

What are the key properties of tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione?

tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione has a molecular weight of 1513.20 g/mol, XLogP of 7.01, 5 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;N-(3-chloro-4-fluorophenyl)-3-(2,5-dioxopiperazin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate;piperazine-2,5-dione is sourced from PubChem (CID 158794483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).