tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate

C65H80Cl2F2N14O13 — CID 159505406

About tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate

tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate (PubChem CID 159505406) has the molecular formula C65H80Cl2F2N14O13 and a molecular weight of 1374.34 g/mol. Its IUPAC name is tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate
• PubChem CID: 159505406
• Molecular Formula: C65H80Cl2F2N14O13
• Molecular Weight: 1374.34 g/mol
• Exact Mass: 1372.54
• IUPAC Name: tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate
• SMILES: COC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C3)C1.COC1CC(=O)N(c2cnn3c2CN(C(=O)OC(C)(C)C)[C@@H](C)C3)C1.C[C@H]1Cn2ncc(N3CC(O)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1
• InChI: InChI=1S/C19H21ClFN5O3.C17H26N4O4.C16H24N4O4.C13H9ClFNO2/c1-11-8-26-17(16(7-22-26)25-9-13(29-2)6-18(25)27)10-24(11)19(28)23-12-3-4-15(21)14(20)5-12;1-11-8-21-14(10-19(11)16(23)25-17(2,3)4)13(7-18-21)20-9-12(24-5)6-15(20)22;1-10-7-20-13(9-18(10)15(23)24-16(2,3)4)12(6-17-20)19-8-11(21)5-14(19)22;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,23,28);7,11-12H,6,8-10H2,1-5H3;6,10-11,21H,5,7-9H2,1-4H3;1-8H,(H,16,17)/t11-,13?;11-,12?;10-,11?;/m000./s1
• InChIKey: LZXOWWNCUWFOLP-DUXKTNKRSA-N
• XLogP: 9.85
• TPSA: 282.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.34
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate?

The IUPAC name of tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate (CID 159505406) is tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate.

What is the SMILES notation for tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate?

The canonical SMILES for tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate is COC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C3)C1.COC1CC(=O)N(c2cnn3c2CN(C(=O)OC(C)(C)C)[C@@H](C)C3)C1.C[C@H]1Cn2ncc(N3CC(O)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1.

What is the InChIKey of tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate?

The InChIKey is LZXOWWNCUWFOLP-DUXKTNKRSA-N. The full InChI is InChI=1S/C19H21ClFN5O3.C17H26N4O4.C16H24N4O4.C13H9ClFNO2/c1-11-8-26-17(16(7-22-26)25-9-13(29-2)6-18(25)27)10-24(11)19(28)23-12-3-4-15(21)14(20)5-12;1-11-8-21-14(10-19(11)16(23)25-17(2,3)4)13(7-18-21)20-9-12(24-5)6-15(20)22;1-10-7-20-13(9-18(10)15(23)24-16(2,3)4)12(6-17-20)19-8-11(21)5-14(19)22;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,23,28);7,11-12H,6,8-10H2,1-5H3;6,10-11,21H,5,7-9H2,1-4H3;1-8H,(H,16,17)/t11-,13?;11-,12?;10-,11?;/m000./s1.

What are the key properties of tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate?

tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate has a molecular weight of 1374.34 g/mol, XLogP of 9.85, 8 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3-chloro-4-fluorophenyl)carbamate is sourced from PubChem (CID 159505406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).