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

C73H84BCl3F6N22O7 — CID 158714786

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

tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 158714786) has the molecular formula C73H84BCl3F6N22O7 and a molecular weight of 1612.78 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• PubChem CID: 158714786
• Molecular Formula: C73H84BCl3F6N22O7
• Molecular Weight: 1612.78 g/mol
• Exact Mass: 1610.60
• IUPAC Name: tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.Cc1nc(-c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)CC3)ncc1F.Cc1nc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F.Cc1nc(-c2cnn3c2CNCC3)ncc1F.Cc1nc(Cl)ncc1F.Nc1ccc(F)c(Cl)c1
• InChI: InChI=1S/C18H15ClF2N6O.C17H28BN3O4.C16H20FN5O2.C11H12FN5.C6H5ClFN.C5H4ClFN2/c1-10-15(21)8-22-17(24-10)12-7-23-27-5-4-26(9-16(12)27)18(28)25-11-2-3-14(20)13(19)6-11;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;1-10-12(17)8-18-14(20-10)11-7-19-22-6-5-21(9-13(11)22)15(23)24-16(2,3)4;1-7-9(12)5-14-11(16-7)8-4-15-17-3-2-13-6-10(8)17;7-5-3-4(9)1-2-6(5)8;1-3-4(7)2-8-5(6)9-3/h2-3,6-8H,4-5,9H2,1H3,(H,25,28);10H,8-9,11H2,1-7H3;7-8H,5-6,9H2,1-4H3;4-5,13H,2-3,6H2,1H3;1-3H,9H2;2H,1H3
• InChIKey: IJEGSIZALPGTBK-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 322.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 5
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.78
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'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-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The IUPAC name of tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 158714786) is tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

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

The canonical SMILES for tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.Cc1nc(-c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)CC3)ncc1F.Cc1nc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F.Cc1nc(-c2cnn3c2CNCC3)ncc1F.Cc1nc(Cl)ncc1F.Nc1ccc(F)c(Cl)c1.

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

The InChIKey is IJEGSIZALPGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N6O.C17H28BN3O4.C16H20FN5O2.C11H12FN5.C6H5ClFN.C5H4ClFN2/c1-10-15(21)8-22-17(24-10)12-7-23-27-5-4-26(9-16(12)27)18(28)25-11-2-3-14(20)13(19)6-11;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;1-10-12(17)8-18-14(20-10)11-7-19-22-6-5-21(9-13(11)22)15(23)24-16(2,3)4;1-7-9(12)5-14-11(16-7)8-4-15-17-3-2-13-6-10(8)17;7-5-3-4(9)1-2-6(5)8;1-3-4(7)2-8-5(6)9-3/h2-3,6-8H,4-5,9H2,1H3,(H,25,28);10H,8-9,11H2,1-7H3;7-8H,5-6,9H2,1-4H3;4-5,13H,2-3,6H2,1H3;1-3H,9H2;2H,1H3.

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

tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 1612.78 g/mol, XLogP of 12.63, 5 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-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-methylpyrimidine;N-(3-chloro-4-fluorophenyl)-3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-(5-fluoro-4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 158714786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).