tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate

C70H78F6N18O14 — CID 159071066

About tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate

tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 159071066) has the molecular formula C70H78F6N18O14 and a molecular weight of 1509.49 g/mol. Its IUPAC name is tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate
• PubChem CID: 159071066
• Molecular Formula: C70H78F6N18O14
• Molecular Weight: 1509.49 g/mol
• Exact Mass: 1508.58
• IUPAC Name: tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate
• SMILES: C[C@H]1Cn2ncc(N3CC(C(=O)O)CC3=O)c2CN1C(=O)OC(C)(C)C.Cc1noc(C2CC(=O)N(c3cnn4c3CN(C(=O)Nc3cc(F)c(F)c(F)c3)[C@@H](C)C4)C2)n1.Cc1noc(C2CC(=O)N(c3cnn4c3CN(C(=O)OC(C)(C)C)[C@@H](C)C4)C2)n1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1
• InChI: InChI=1S/C21H20F3N7O3.C19H26N6O4.C17H24N4O5.C13H8F3NO2/c1-10-7-31-17(9-29(10)21(33)27-13-4-14(22)19(24)15(23)5-13)16(6-25-31)30-8-12(3-18(30)32)20-26-11(2)28-34-20;1-11-8-25-15(10-23(11)18(27)28-19(3,4)5)14(7-20-25)24-9-13(6-16(24)26)17-21-12(2)22-29-17;1-10-7-21-13(9-19(10)16(25)26-17(2,3)4)12(6-18-21)20-8-11(15(23)24)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/h4-6,10,12H,3,7-9H2,1-2H3,(H,27,33);7,11,13H,6,8-10H2,1-5H3;6,10-11H,5,7-9H2,1-4H3,(H,23,24);1-7H,(H,17,18)/t10-,12?;11-,13?;10-,11?;/m000./s1
• InChIKey: JZQRCQIQXJKGSG-VNUCRJHWSA-N
• XLogP: 10.36
• TPSA: 359.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1509.49
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The IUPAC name of tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate (CID 159071066) is tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate.

What is the SMILES notation for tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The canonical SMILES for tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate is C[C@H]1Cn2ncc(N3CC(C(=O)O)CC3=O)c2CN1C(=O)OC(C)(C)C.Cc1noc(C2CC(=O)N(c3cnn4c3CN(C(=O)Nc3cc(F)c(F)c(F)c3)[C@@H](C)C4)C2)n1.Cc1noc(C2CC(=O)N(c3cnn4c3CN(C(=O)OC(C)(C)C)[C@@H](C)C4)C2)n1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.

What is the InChIKey of tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The InChIKey is JZQRCQIQXJKGSG-VNUCRJHWSA-N. The full InChI is InChI=1S/C21H20F3N7O3.C19H26N6O4.C17H24N4O5.C13H8F3NO2/c1-10-7-31-17(9-29(10)21(33)27-13-4-14(22)19(24)15(23)5-13)16(6-25-31)30-8-12(3-18(30)32)20-26-11(2)28-34-20;1-11-8-25-15(10-23(11)18(27)28-19(3,4)5)14(7-20-25)24-9-13(6-16(24)26)17-21-12(2)22-29-17;1-10-7-21-13(9-19(10)16(25)26-17(2,3)4)12(6-18-21)20-8-11(15(23)24)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/h4-6,10,12H,3,7-9H2,1-2H3,(H,27,33);7,11,13H,6,8-10H2,1-5H3;6,10-11H,5,7-9H2,1-4H3,(H,23,24);1-7H,(H,17,18)/t10-,12?;11-,13?;10-,11?;/m000./s1.

What are the key properties of tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate?

tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 1509.49 g/mol, XLogP of 10.36, 9 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid;phenyl N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 159071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).