1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one

C101H93BrClF3N24O17 — CID 157265698

About 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one

1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one (PubChem CID 157265698) has the molecular formula C101H93BrClF3N24O17 and a molecular weight of 2087.36 g/mol. Its IUPAC name is 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one
• PubChem CID: 157265698
• Molecular Formula: C101H93BrClF3N24O17
• Molecular Weight: 2087.36 g/mol
• Exact Mass: 2084.60
• IUPAC Name: 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one
• SMILES: Brc1ccn(Cc2ccccc2)n1.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(-n3ccc(N4CC[C@H](O)C4=O)n3)c2C1=O.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CC[C@H](O)C3=O)n2)c2c(n1)CNC2=O.O=C1NCC[C@@H]1O.O=C1[C@@H](O)CCN1c1ccn(Cc2ccccc2)n1.O=C1[C@@H](O)CCN1c1ccn[nH]1
• InChI: InChI=1S/C26H23FN6O5.C21H15FN6O3.C19H15ClFN3O3.C14H15N3O2.C10H9BrN2.C7H9N3O2.C4H7NO2/c1-26(2,3)38-25(37)32-13-17-22(24(32)36)18(11-16(29-17)21-14(12-28)5-4-6-15(21)27)33-10-8-20(30-33)31-9-7-19(34)23(31)35;22-12-3-1-2-11(9-23)18(12)13-8-15(19-14(25-13)10-24-20(19)30)28-7-5-17(26-28)27-6-4-16(29)21(27)31;1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;18-12-6-9-17(14(12)19)13-7-8-16(15-13)10-11-4-2-1-3-5-11;11-10-6-7-13(12-10)8-9-4-2-1-3-5-9;11-5-2-4-10(7(5)12)6-1-3-8-9-6;6-3-1-2-5-4(3)7/h4-6,8,10-11,19,34H,7,9,13H2,1-3H3;1-3,5,7-8,16,29H,4,6,10H2,(H,24,30);4-7H,9H2,1-3H3;1-5,7-8,12,18H,6,9-10H2;1-7H,8H2;1,3,5,11H,2,4H2,(H,8,9);3,6H,1-2H2,(H,5,7)/t19-;16-;;12-;;5-;3-/m00.0.00/s1
• InChIKey: AXYWXHADDHSTLT-TYTWIXBESA-N
• XLogP: 10.62
• TPSA: 543.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 13
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.36
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one?

The IUPAC name of 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one (CID 157265698) is 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one.

What is the SMILES notation for 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one?

The canonical SMILES for 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one is Brc1ccn(Cc2ccccc2)n1.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(-n3ccc(N4CC[C@H](O)C4=O)n3)c2C1=O.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CC[C@H](O)C3=O)n2)c2c(n1)CNC2=O.O=C1NCC[C@@H]1O.O=C1[C@@H](O)CCN1c1ccn(Cc2ccccc2)n1.O=C1[C@@H](O)CCN1c1ccn[nH]1.

What is the InChIKey of 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one?

The InChIKey is AXYWXHADDHSTLT-TYTWIXBESA-N. The full InChI is InChI=1S/C26H23FN6O5.C21H15FN6O3.C19H15ClFN3O3.C14H15N3O2.C10H9BrN2.C7H9N3O2.C4H7NO2/c1-26(2,3)38-25(37)32-13-17-22(24(32)36)18(11-16(29-17)21-14(12-28)5-4-6-15(21)27)33-10-8-20(30-33)31-9-7-19(34)23(31)35;22-12-3-1-2-11(9-23)18(12)13-8-15(19-14(25-13)10-24-20(19)30)28-7-5-17(26-28)27-6-4-16(29)21(27)31;1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;18-12-6-9-17(14(12)19)13-7-8-16(15-13)10-11-4-2-1-3-5-11;11-10-6-7-13(12-10)8-9-4-2-1-3-5-9;11-5-2-4-10(7(5)12)6-1-3-8-9-6;6-3-1-2-5-4(3)7/h4-6,8,10-11,19,34H,7,9,13H2,1-3H3;1-3,5,7-8,16,29H,4,6,10H2,(H,24,30);4-7H,9H2,1-3H3;1-5,7-8,12,18H,6,9-10H2;1-7H,8H2;1,3,5,11H,2,4H2,(H,8,9);3,6H,1-2H2,(H,5,7)/t19-;16-;;12-;;5-;3-/m00.0.00/s1.

What are the key properties of 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one?

1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one has a molecular weight of 2087.36 g/mol, XLogP of 10.62, 13 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 157265698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).