2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate

C77H77CuF6I2N14O10 — CID 158017569

About 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate

2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 158017569) has the molecular formula C77H77CuF6I2N14O10 and a molecular weight of 1789.89 g/mol. Its IUPAC name is 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

Molecular Properties

• Compound Name: 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate
• PubChem CID: 158017569
• Molecular Formula: C77H77CuF6I2N14O10
• Molecular Weight: 1789.89 g/mol
• Exact Mass: 1788.32
• IUPAC Name: 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate
• SMILES: C[C@H]1Cn2ncc(I)c2CN1.C[C@H]1Cn2ncc(N3CC(c4ccccc4)OC3=O)c2CN1.C[C@H]1Cn2ncc(N3CC(c4ccccc4)OC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.NCC(O)c1ccccc1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1NCC(c2ccccc2)O1.[Cu]I
• InChI: InChI=1S/C24H21F3N4O3.C16H18N4O2.C13H8F3NO2.C9H9NO2.C8H11NO.C7H10IN3.Cu.HI/c1-14-11-31-20(12-29(14)22(32)9-15-7-17(25)23(27)18(26)8-15)19(10-28-31)30-13-21(34-24(30)33)16-5-3-2-4-6-16;1-11-9-20-14(7-17-11)13(8-18-20)19-10-15(22-16(19)21)12-5-3-2-4-6-12;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;11-9-10-6-8(12-9)7-4-2-1-3-5-7;9-6-8(10)7-4-2-1-3-5-7;1-5-4-11-7(3-9-5)6(8)2-10-11;;/h2-8,10,14,21H,9,11-13H2,1H3;2-6,8,11,15,17H,7,9-10H2,1H3;1-7H,(H,17,18);1-5,8H,6H2,(H,10,11);1-5,8,10H,6,9H2;2,5,9H,3-4H2,1H3;;1H/q;;;;;;+1;/p-1/t14-,21?;11-,15?;;;;5-;;/m00...0../s1
• InChIKey: FFQUGYHGCYKCAD-PQKWVKCESA-M
• XLogP: 13.77
• TPSA: 279.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1789.89
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The IUPAC name of 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (CID 158017569) is 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

What is the SMILES notation for 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The canonical SMILES for 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate is C[C@H]1Cn2ncc(I)c2CN1.C[C@H]1Cn2ncc(N3CC(c4ccccc4)OC3=O)c2CN1.C[C@H]1Cn2ncc(N3CC(c4ccccc4)OC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.NCC(O)c1ccccc1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1NCC(c2ccccc2)O1.[Cu]I.

What is the InChIKey of 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The InChIKey is FFQUGYHGCYKCAD-PQKWVKCESA-M. The full InChI is InChI=1S/C24H21F3N4O3.C16H18N4O2.C13H8F3NO2.C9H9NO2.C8H11NO.C7H10IN3.Cu.HI/c1-14-11-31-20(12-29(14)22(32)9-15-7-17(25)23(27)18(26)8-15)19(10-28-31)30-13-21(34-24(30)33)16-5-3-2-4-6-16;1-11-9-20-14(7-17-11)13(8-18-20)19-10-15(22-16(19)21)12-5-3-2-4-6-12;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;11-9-10-6-8(12-9)7-4-2-1-3-5-7;9-6-8(10)7-4-2-1-3-5-7;1-5-4-11-7(3-9-5)6(8)2-10-11;;/h2-8,10,14,21H,9,11-13H2,1H3;2-6,8,11,15,17H,7,9-10H2,1H3;1-7H,(H,17,18);1-5,8H,6H2,(H,10,11);1-5,8,10H,6,9H2;2,5,9H,3-4H2,1H3;;1H/q;;;;;;+1;/p-1/t14-,21?;11-,15?;;;;5-;;/m00...0../s1.

What are the key properties of 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 1789.89 g/mol, XLogP of 13.77, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-phenylethanol;iodocopper;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-phenyl-1,3-oxazolidin-2-one;5-phenyl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 158017569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).