magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride

C100H131B2Cl4F5IMgN21O12 — CID 163623564

About magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride

magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride (PubChem CID 163623564) has the molecular formula C100H131B2Cl4F5IMgN21O12 and a molecular weight of 2228.92 g/mol. Its IUPAC name is magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride.

Molecular Properties

• Compound Name: magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride
• PubChem CID: 163623564
• Molecular Formula: C100H131B2Cl4F5IMgN21O12
• Molecular Weight: 2228.92 g/mol
• Exact Mass: 2225.80
• IUPAC Name: magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC(C)OB1OC(C)(C)C(C)(C)O1.C[CH-]C.Cc1ccnc(-c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1.Cc1ccnc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)c1.Cc1ccnc(-c2cnn3c2CNCC3)c1.FC(F)(F)c1ccnc(Cl)c1.Nc1ccc(F)c(Cl)c1.[Cl-].[Mg+2]
• InChI: InChI=1S/C19H17ClFN5O.C17H28BN3O4.C17H22N4O2.C12H14N4.C11H16IN3O2.C9H19BO3.C6H3ClF3N.C6H5ClFN.C3H7.ClH.Mg/c1-12-4-5-22-17(8-12)14-10-23-26-7-6-25(11-18(14)26)19(27)24-13-2-3-16(21)15(20)9-13;1-15(2,3)23-14(22)20-8-9-21-13(11-20)12(10-19-21)18-24-16(4,5)17(6,7)25-18;1-12-5-6-18-14(9-12)13-10-19-21-8-7-20(11-15(13)21)16(22)23-17(2,3)4;1-9-2-3-14-11(6-9)10-7-15-16-5-4-13-8-12(10)16;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-3-4(1-2-11-5)6(8,9)10;7-5-3-4(9)1-2-6(5)8;1-3-2;;/h2-5,8-10H,6-7,11H2,1H3,(H,24,27);10H,8-9,11H2,1-7H3;5-6,9-10H,7-8,11H2,1-4H3;2-3,6-7,13H,4-5,8H2,1H3;6H,4-5,7H2,1-3H3;7H,1-6H3;1-3H;1-3H,9H2;3H,1-2H3;1H;/q;;;;;;;;-1;;+2/p-1
• InChIKey: WRBGUNQXERSJMD-UHFFFAOYSA-M
• XLogP: 17.30
• TPSA: 345.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 7
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.92
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride?

The IUPAC name of magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride (CID 163623564) is magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride.

What is the SMILES notation for magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride?

The canonical SMILES for magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride is CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC(C)OB1OC(C)(C)C(C)(C)O1.C[CH-]C.Cc1ccnc(-c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1.Cc1ccnc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)c1.Cc1ccnc(-c2cnn3c2CNCC3)c1.FC(F)(F)c1ccnc(Cl)c1.Nc1ccc(F)c(Cl)c1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride?

The InChIKey is WRBGUNQXERSJMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17ClFN5O.C17H28BN3O4.C17H22N4O2.C12H14N4.C11H16IN3O2.C9H19BO3.C6H3ClF3N.C6H5ClFN.C3H7.ClH.Mg/c1-12-4-5-22-17(8-12)14-10-23-26-7-6-25(11-18(14)26)19(27)24-13-2-3-16(21)15(20)9-13;1-15(2,3)23-14(22)20-8-9-21-13(11-20)12(10-19-21)18-24-16(4,5)17(6,7)25-18;1-12-5-6-18-14(9-12)13-10-19-21-8-7-20(11-15(13)21)16(22)23-17(2,3)4;1-9-2-3-14-11(6-9)10-7-15-16-5-4-13-8-12(10)16;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-3-4(1-2-11-5)6(8,9)10;7-5-3-4(9)1-2-6(5)8;1-3-2;;/h2-5,8-10H,6-7,11H2,1H3,(H,24,27);10H,8-9,11H2,1-7H3;5-6,9-10H,7-8,11H2,1-4H3;2-3,6-7,13H,4-5,8H2,1H3;6H,4-5,7H2,1-3H3;7H,1-6H3;1-3H;1-3H,9H2;3H,1-2H3;1H;/q;;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride?

magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride has a molecular weight of 2228.92 g/mol, XLogP of 17.30, 7 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-4-(trifluoromethyl)pyridine;3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;propane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;chloride is sourced from PubChem (CID 163623564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).