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

C69H76BCl3F6N22O7 — CID 161093669

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

tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 161093669) has the molecular formula C69H76BCl3F6N22O7 and a molecular weight of 1556.67 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• PubChem CID: 161093669
• Molecular Formula: C69H76BCl3F6N22O7
• Molecular Weight: 1556.67 g/mol
• Exact Mass: 1554.53
• IUPAC Name: tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(-c3ncc(F)cn3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.Fc1cnc(-c2cnn3c2CNCC3)nc1.Fc1cnc(Cl)cn1.Nc1ccc(F)c(Cl)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3ncc(F)cn3)c2C1
• InChI: InChI=1S/C17H28BN3O4.C17H13ClF2N6O.C15H18FN5O2.C10H10FN5.C6H5ClFN.C4H2ClFN2/c1-15(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;18-13-5-11(1-2-14(13)20)24-17(27)25-3-4-26-15(9-25)12(8-23-26)16-21-6-10(19)7-22-16;1-15(2,3)23-14(22)20-4-5-21-12(9-20)11(8-19-21)13-17-6-10(16)7-18-13;11-7-3-13-10(14-4-7)8-5-15-16-2-1-12-6-9(8)16;7-5-3-4(9)1-2-6(5)8;5-3-1-8-4(6)2-7-3/h10H,8-9,11H2,1-7H3;1-2,5-8H,3-4,9H2,(H,24,27);6-8H,4-5,9H2,1-3H3;3-5,12H,1-2,6H2;1-3H,9H2;1-2H
• InChIKey: UHMUCIBEKFIEOF-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 322.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 5
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1556.67
LogP ≤ 5	11.40
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-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The IUPAC name of tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 161093669) is tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

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

The canonical SMILES for tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)OC(=O)N1CCn2ncc(-c3ncc(F)cn3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1.Fc1cnc(-c2cnn3c2CNCC3)nc1.Fc1cnc(Cl)cn1.Nc1ccc(F)c(Cl)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3ncc(F)cn3)c2C1.

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

The InChIKey is UHMUCIBEKFIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BN3O4.C17H13ClF2N6O.C15H18FN5O2.C10H10FN5.C6H5ClFN.C4H2ClFN2/c1-15(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;18-13-5-11(1-2-14(13)20)24-17(27)25-3-4-26-15(9-25)12(8-23-26)16-21-6-10(19)7-22-16;1-15(2,3)23-14(22)20-4-5-21-12(9-20)11(8-19-21)13-17-6-10(16)7-18-13;11-7-3-13-10(14-4-7)8-5-15-16-2-1-12-6-9(8)16;7-5-3-4(9)1-2-6(5)8;5-3-1-8-4(6)2-7-3/h10H,8-9,11H2,1-7H3;1-2,5-8H,3-4,9H2,(H,24,27);6-8H,4-5,9H2,1-3H3;3-5,12H,1-2,6H2;1-3H,9H2;1-2H.

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

tert-butyl 3-(5-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 1556.67 g/mol, XLogP of 11.40, 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-fluoropyrimidin-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;N-(3-chloro-4-fluorophenyl)-3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2-chloro-5-fluoropyrazine;3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 161093669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).