4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate

C92H108ClF9IN27O13 — CID 159004046

About 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate

4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 159004046) has the molecular formula C92H108ClF9IN27O13 and a molecular weight of 2133.39 g/mol. Its IUPAC name is 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

Molecular Properties

• Compound Name: 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate
• PubChem CID: 159004046
• Molecular Formula: C92H108ClF9IN27O13
• Molecular Weight: 2133.39 g/mol
• Exact Mass: 2131.72
• IUPAC Name: 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate
• SMILES: C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(N)CC3=O)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(Nc4ncncc4F)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(Nc4ncncc4F)CC3=O)c2CN1C(=O)OC(C)(C)C.Fc1cncnc1Cl.NC1CNC(=O)C1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1
• InChI: InChI=1S/C23H21F4N7O2.C20H26FN7O3.C16H25N5O3.C13H8F3NO2.C12H18IN3O2.C4H2ClFN2.C4H8N2O/c1-12-8-34-19(10-32(12)20(35)4-13-2-15(24)22(27)16(25)3-13)18(7-30-34)33-9-14(5-21(33)36)31-23-17(26)6-28-11-29-23;1-12-8-28-16(10-26(12)19(30)31-20(2,3)4)15(7-24-28)27-9-13(5-17(27)29)25-18-14(21)6-22-11-23-18;1-10-7-21-13(9-19(10)15(23)24-16(2,3)4)12(6-18-21)20-8-11(17)5-14(20)22;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;5-4-3(6)1-7-2-8-4;5-3-1-4(7)6-2-3/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3,(H,28,29,31);6-7,11-13H,5,8-10H2,1-4H3,(H,22,23,25);6,10-11H,5,7-9,17H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-2H;3H,1-2,5H2,(H,6,7)/t12-,14?;12-,13?;10-,11?;;8-;;/m000.0../s1
• InChIKey: JRRQUERVUPGUMU-RBRDDANDSA-N
• XLogP: 12.12
• TPSA: 462.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2133.39
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The IUPAC name of 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (CID 159004046) is 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

What is the SMILES notation for 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The canonical SMILES for 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate is C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(N)CC3=O)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(Nc4ncncc4F)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(Nc4ncncc4F)CC3=O)c2CN1C(=O)OC(C)(C)C.Fc1cncnc1Cl.NC1CNC(=O)C1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.

What is the InChIKey of 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The InChIKey is JRRQUERVUPGUMU-RBRDDANDSA-N. The full InChI is InChI=1S/C23H21F4N7O2.C20H26FN7O3.C16H25N5O3.C13H8F3NO2.C12H18IN3O2.C4H2ClFN2.C4H8N2O/c1-12-8-34-19(10-32(12)20(35)4-13-2-15(24)22(27)16(25)3-13)18(7-30-34)33-9-14(5-21(33)36)31-23-17(26)6-28-11-29-23;1-12-8-28-16(10-26(12)19(30)31-20(2,3)4)15(7-24-28)27-9-13(5-17(27)29)25-18-14(21)6-22-11-23-18;1-10-7-21-13(9-19(10)15(23)24-16(2,3)4)12(6-18-21)20-8-11(17)5-14(20)22;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;5-4-3(6)1-7-2-8-4;5-3-1-4(7)6-2-3/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3,(H,28,29,31);6-7,11-13H,5,8-10H2,1-4H3,(H,22,23,25);6,10-11H,5,7-9,17H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-2H;3H,1-2,5H2,(H,6,7)/t12-,14?;12-,13?;10-,11?;;8-;;/m000.0../s1.

What are the key properties of 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 2133.39 g/mol, XLogP of 12.12, 11 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminopyrrolidin-2-one;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[4-[(5-fluoropyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-chloro-5-fluoropyrimidine;4-[(5-fluoropyrimidin-4-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 159004046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).