1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate

C84H90F6IN19O14 — CID 158669380

About 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate

1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 158669380) has the molecular formula C84H90F6IN19O14 and a molecular weight of 1830.65 g/mol. Its IUPAC name is 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

Molecular Properties

• Compound Name: 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate
• PubChem CID: 158669380
• Molecular Formula: C84H90F6IN19O14
• Molecular Weight: 1830.65 g/mol
• Exact Mass: 1829.59
• IUPAC Name: 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate
• SMILES: C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CN(C(=O)c4ccccc4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CN(C(=O)c4ccccc4)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CN(C(=O)c2ccccc2)CN1.O=C1CNCN1
• InChI: InChI=1S/C24H21F3N6O3.C22H27N5O4.C13H8F3NO2.C12H18IN3O2.C10H10N2O2.C3H6N2O/c1-14-10-33-20(11-31(14)24(36)29-16-7-17(25)22(27)18(26)8-16)19(9-28-33)32-13-30(12-21(32)34)23(35)15-5-3-2-4-6-15;1-15-11-27-18(12-25(15)21(30)31-22(2,3)4)17(10-23-27)26-14-24(13-19(26)28)20(29)16-8-6-5-7-9-16;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;13-9-6-12(7-11-9)10(14)8-4-2-1-3-5-8;6-3-1-4-2-5-3/h2-9,14H,10-13H2,1H3,(H,29,36);5-10,15H,11-14H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-5H,6-7H2,(H,11,13);4H,1-2H2,(H,5,6)/t14-;15-;;8-;;/m00.0../s1
• InChIKey: IDTLCEWNHPRRKK-UDKBTPOWSA-N
• XLogP: 10.87
• TPSA: 354.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.65
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The IUPAC name of 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (CID 158669380) is 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

What is the SMILES notation for 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The canonical SMILES for 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate is C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CN(C(=O)c4ccccc4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CN(C(=O)c4ccccc4)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CN(C(=O)c2ccccc2)CN1.O=C1CNCN1.

What is the InChIKey of 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The InChIKey is IDTLCEWNHPRRKK-UDKBTPOWSA-N. The full InChI is InChI=1S/C24H21F3N6O3.C22H27N5O4.C13H8F3NO2.C12H18IN3O2.C10H10N2O2.C3H6N2O/c1-14-10-33-20(11-31(14)24(36)29-16-7-17(25)22(27)18(26)8-16)19(9-28-33)32-13-30(12-21(32)34)23(35)15-5-3-2-4-6-15;1-15-11-27-18(12-25(15)21(30)31-22(2,3)4)17(10-23-27)26-14-24(13-19(26)28)20(29)16-8-6-5-7-9-16;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;13-9-6-12(7-11-9)10(14)8-4-2-1-3-5-8;6-3-1-4-2-5-3/h2-9,14H,10-13H2,1H3,(H,29,36);5-10,15H,11-14H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-5H,6-7H2,(H,11,13);4H,1-2H2,(H,5,6)/t14-;15-;;8-;;/m00.0../s1.

What are the key properties of 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 1830.65 g/mol, XLogP of 10.87, 8 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzoylimidazolidin-4-one;(6S)-3-(3-benzoyl-5-oxoimidazolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;tert-butyl (6S)-3-(3-benzoyl-5-oxoimidazolidin-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;imidazolidin-4-one;phenyl N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 158669380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).