tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C77H88BCl3F6N18O7 — CID 158357517

About tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 158357517) has the molecular formula C77H88BCl3F6N18O7 and a molecular weight of 1608.83 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• PubChem CID: 158357517
• Molecular Formula: C77H88BCl3F6N18O7
• Molecular Weight: 1608.83 g/mol
• Exact Mass: 1606.61
• IUPAC Name: tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.Cc1cc(-c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)CC3)ncc1F.Cc1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F.Cc1cc(-c2cnn3c2CNCC3)ncc1F.Cc1cc(Cl)ncc1F.Nc1ccc(F)c(Cl)c1
• InChI: InChI=1S/C19H16ClF2N5O.C17H28BN3O4.C17H21FN4O2.C12H13FN4.2C6H5ClFN/c1-11-6-17(23-9-16(11)22)13-8-24-27-5-4-26(10-18(13)27)19(28)25-12-2-3-15(21)14(20)7-12;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;1-11-7-14(19-9-13(11)18)12-8-20-22-6-5-21(10-15(12)22)16(23)24-17(2,3)4;1-8-4-11(15-6-10(8)13)9-5-16-17-3-2-14-7-12(9)17;1-4-2-6(7)9-3-5(4)8;7-5-3-4(9)1-2-6(5)8/h2-3,6-9H,4-5,10H2,1H3,(H,25,28);10H,8-9,11H2,1-7H3;7-9H,5-6,10H2,1-4H3;4-6,14H,2-3,7H2,1H3;2-3H,1H3;1-3H,9H2
• InChIKey: GTBGJDKHVVPBGT-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 270.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.83
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The IUPAC name of tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 158357517) is tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

What is the SMILES notation for tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The canonical SMILES for tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.Cc1cc(-c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)CC3)ncc1F.Cc1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F.Cc1cc(-c2cnn3c2CNCC3)ncc1F.Cc1cc(Cl)ncc1F.Nc1ccc(F)c(Cl)c1.

What is the InChIKey of tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The InChIKey is GTBGJDKHVVPBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N5O.C17H28BN3O4.C17H21FN4O2.C12H13FN4.2C6H5ClFN/c1-11-6-17(23-9-16(11)22)13-8-24-27-5-4-26(10-18(13)27)19(28)25-12-2-3-15(21)14(20)7-12;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;1-11-7-14(19-9-13(11)18)12-8-20-22-6-5-21(10-15(12)22)16(23)24-17(2,3)4;1-8-4-11(15-6-10(8)13)9-5-16-17-3-2-14-7-12(9)17;1-4-2-6(7)9-3-5(4)8;7-5-3-4(9)1-2-6(5)8/h2-3,6-9H,4-5,10H2,1H3,(H,25,28);10H,8-9,11H2,1-7H3;7-9H,5-6,10H2,1-4H3;4-6,14H,2-3,7H2,1H3;2-3H,1H3;1-3H,9H2.

What are the key properties of tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 1608.83 g/mol, XLogP of 15.05, 5 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(5-fluoro-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;2-chloro-5-fluoro-4-methylpyridine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 158357517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).