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

C88H106F6IN19O17 — CID 159724780

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

tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 159724780) has the molecular formula C88H106F6IN19O17 and a molecular weight of 1942.82 g/mol. Its IUPAC name is tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate
• PubChem CID: 159724780
• Molecular Formula: C88H106F6IN19O17
• Molecular Weight: 1942.82 g/mol
• Exact Mass: 1941.70
• IUPAC Name: tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-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(CO)CC3=O)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(c4cnco4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(c4cnco4)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CC(CO)CN1
• InChI: InChI=1S/C22H20F3N5O3.C19H25N5O4.C17H26N4O4.C13H8F3NO2.C12H18IN3O2.C5H9NO2/c1-12-8-30-18(10-28(12)20(31)4-13-2-15(23)22(25)16(24)3-13)17(6-27-30)29-9-14(5-21(29)32)19-7-26-11-33-19;1-12-8-24-15(10-22(12)18(26)28-19(2,3)4)14(6-21-24)23-9-13(5-17(23)25)16-7-20-11-27-16;1-11-7-21-14(9-19(11)16(24)25-17(2,3)4)13(6-18-21)20-8-12(10-22)5-15(20)23;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;7-3-4-1-5(8)6-2-4/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3;6-7,11-13H,5,8-10H2,1-4H3;6,11-12,22H,5,7-10H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;4,7H,1-3H2,(H,6,8)/t12-,14?;12-,13?;11-,12?;;8-;/m000.0./s1
• InChIKey: NAMMCITWRGMOOA-SVHFTEDLSA-N
• XLogP: 12.14
• TPSA: 401.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.82
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

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 tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The IUPAC name of tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate (CID 159724780) is tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate.

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

The canonical SMILES for tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-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(CO)CC3=O)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(c4cnco4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(c4cnco4)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CC(CO)CN1.

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

The InChIKey is NAMMCITWRGMOOA-SVHFTEDLSA-N. The full InChI is InChI=1S/C22H20F3N5O3.C19H25N5O4.C17H26N4O4.C13H8F3NO2.C12H18IN3O2.C5H9NO2/c1-12-8-30-18(10-28(12)20(31)4-13-2-15(23)22(25)16(24)3-13)17(6-27-30)29-9-14(5-21(29)32)19-7-26-11-33-19;1-12-8-24-15(10-22(12)18(26)28-19(2,3)4)14(6-21-24)23-9-13(5-17(23)25)16-7-20-11-27-16;1-11-7-21-14(9-19(11)16(24)25-17(2,3)4)13(6-18-21)20-8-12(10-22)5-15(20)23;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;7-3-4-1-5(8)6-2-4/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3;6-7,11-13H,5,8-10H2,1-4H3;6,11-12,22H,5,7-10H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;4,7H,1-3H2,(H,6,8)/t12-,14?;12-,13?;11-,12?;;8-;/m000.0./s1.

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

tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 1942.82 g/mol, XLogP of 12.14, 11 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-3-[4-(hydroxymethyl)-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;tert-butyl (6S)-6-methyl-3-[4-(1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-(hydroxymethyl)pyrrolidin-2-one;1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-(1,3-oxazol-5-yl)pyrrolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 159724780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).