tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C71H74BCl2F6IN14O7 — CID 157065364

About tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 157065364) has the molecular formula C71H74BCl2F6IN14O7 and a molecular weight of 1558.07 g/mol. Its IUPAC name is tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• PubChem CID: 157065364
• Molecular Formula: C71H74BCl2F6IN14O7
• Molecular Weight: 1558.07 g/mol
• Exact Mass: 1556.43
• IUPAC Name: tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(-c3ccccc3F)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.Fc1ccccc1-c1cnn2c1CNCC2.Nc1ccc(F)c(Cl)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3ccccc3F)c2C1.OB(O)c1ccccc1F
• InChI: InChI=1S/C19H15ClF2N4O.C17H20FN3O2.C12H12FN3.C11H16IN3O2.C6H6BFO2.C6H5ClFN/c20-15-9-12(5-6-17(15)22)24-19(27)25-7-8-26-18(11-25)14(10-23-26)13-3-1-2-4-16(13)21;1-17(2,3)23-16(22)20-8-9-21-15(11-20)13(10-19-21)12-6-4-5-7-14(12)18;13-11-4-2-1-3-9(11)10-7-15-16-6-5-14-8-12(10)16;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;8-6-4-2-1-3-5(6)7(9)10;7-5-3-4(9)1-2-6(5)8/h1-6,9-10H,7-8,11H2,(H,24,27);4-7,10H,8-9,11H2,1-3H3;1-4,7,14H,5-6,8H2;6H,4-5,7H2,1-3H3;1-4,9-10H;1-3H,9H2
• InChIKey: ABUWATDZXCRWKO-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 241.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.07
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The IUPAC name of tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 157065364) is tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

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

The canonical SMILES for tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)OC(=O)N1CCn2ncc(-c3ccccc3F)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.Fc1ccccc1-c1cnn2c1CNCC2.Nc1ccc(F)c(Cl)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3ccccc3F)c2C1.OB(O)c1ccccc1F.

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

The InChIKey is ABUWATDZXCRWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O.C17H20FN3O2.C12H12FN3.C11H16IN3O2.C6H6BFO2.C6H5ClFN/c20-15-9-12(5-6-17(15)22)24-19(27)25-7-8-26-18(11-25)14(10-23-26)13-3-1-2-4-16(13)21;1-17(2,3)23-16(22)20-8-9-21-15(11-20)13(10-19-21)12-6-4-5-7-14(12)18;13-11-4-2-1-3-9(11)10-7-15-16-6-5-14-8-12(10)16;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;8-6-4-2-1-3-5(6)7(9)10;7-5-3-4(9)1-2-6(5)8/h1-6,9-10H,7-8,11H2,(H,24,27);4-7,10H,8-9,11H2,1-3H3;1-4,7,14H,5-6,8H2;6H,4-5,7H2,1-3H3;1-4,9-10H;1-3H,9H2.

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

tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 1558.07 g/mol, XLogP of 13.57, 5 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(2-fluorophenyl)boronic acid;3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 157065364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).