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

C63H80Cl2F2IN17O10 — CID 158352373

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

tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate (PubChem CID 158352373) has the molecular formula C63H80Cl2F2IN17O10 and a molecular weight of 1471.25 g/mol. Its IUPAC name is tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate
• PubChem CID: 158352373
• Molecular Formula: C63H80Cl2F2IN17O10
• Molecular Weight: 1471.25 g/mol
• Exact Mass: 1469.47
• IUPAC Name: tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate
• SMILES: CN1CCNC1=O.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CCN(C)C3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.C[C@H]1Cn2ncc(N3CCN(C)C3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1
• InChI: InChI=1S/C18H20ClFN6O2.C16H25N5O3.C13H9ClFNO2.C12H18IN3O2.C4H8N2O/c1-11-9-26-16(15(8-21-26)24-6-5-23(2)18(24)28)10-25(11)17(27)22-12-3-4-14(20)13(19)7-12;1-11-9-21-13(10-20(11)15(23)24-16(2,3)4)12(8-17-21)19-7-6-18(5)14(19)22;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-6-3-2-5-4(6)7/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,22,27);8,11H,6-7,9-10H2,1-5H3;1-8H,(H,16,17);5,8H,6-7H2,1-4H3;2-3H2,1H3,(H,5,7)/t2*11-;;8-;/m00.0./s1
• InChIKey: GSLYVBXRPZSFND-NQEIVWADSA-N
• XLogP: 11.24
• TPSA: 262.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.25
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate (CID 158352373) is tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate.

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

The canonical SMILES for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate is CN1CCNC1=O.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CCN(C)C3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.C[C@H]1Cn2ncc(N3CCN(C)C3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1.

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

The InChIKey is GSLYVBXRPZSFND-NQEIVWADSA-N. The full InChI is InChI=1S/C18H20ClFN6O2.C16H25N5O3.C13H9ClFNO2.C12H18IN3O2.C4H8N2O/c1-11-9-26-16(15(8-21-26)24-6-5-23(2)18(24)28)10-25(11)17(27)22-12-3-4-14(20)13(19)7-12;1-11-9-21-13(10-20(11)15(23)24-16(2,3)4)12(8-17-21)19-7-6-18(5)14(19)22;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-6-3-2-5-4(6)7/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,22,27);8,11H,6-7,9-10H2,1-5H3;1-8H,(H,16,17);5,8H,6-7H2,1-4H3;2-3H2,1H3,(H,5,7)/t2*11-;;8-;/m00.0./s1.

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

tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate has a molecular weight of 1471.25 g/mol, XLogP of 11.24, 5 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;1-methylimidazolidin-2-one;phenyl N-(3-chloro-4-fluorophenyl)carbamate is sourced from PubChem (CID 158352373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).