(3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C63H60BF8IN14O7 — CID 157317406

About (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 157317406) has the molecular formula C63H60BF8IN14O7 and a molecular weight of 1414.96 g/mol. Its IUPAC name is (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 157317406
• Molecular Formula: C63H60BF8IN14O7
• Molecular Weight: 1414.96 g/mol
• Exact Mass: 1414.38
• IUPAC Name: (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(CC(=O)N2CCn3nc(-c4ccc(F)c(F)c4)c(C(N)=O)c3C2)cc1.NC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CCCC2.NC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CNCC2.NC(=O)c1c(I)nn2c1CCCC2.OB(O)c1ccc(F)c(F)c1
• InChI: InChI=1S/C22H20F2N4O2.C14H13F2N3O.C13H12F2N4O.C8H10IN3O.C6H5BF2O2/c1-13-2-4-14(5-3-13)10-19(29)27-8-9-28-18(12-27)20(22(25)30)21(26-28)15-6-7-16(23)17(24)11-15;15-9-5-4-8(7-10(9)16)13-12(14(17)20)11-3-1-2-6-19(11)18-13;14-8-2-1-7(5-9(8)15)12-11(13(16)20)10-6-17-3-4-19(10)18-12;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7;8-5-2-1-4(7(10)11)3-6(5)9/h2-7,11H,8-10,12H2,1H3,(H2,25,30);4-5,7H,1-3,6H2,(H2,17,20);1-2,5,17H,3-4,6H2,(H2,16,20);1-4H2,(H2,10,13);1-3,10-11H
• InChIKey: BDTOVCUXIVRSPZ-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 316.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1414.96
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 157317406) is (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(CC(=O)N2CCn3nc(-c4ccc(F)c(F)c4)c(C(N)=O)c3C2)cc1.NC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CCCC2.NC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CNCC2.NC(=O)c1c(I)nn2c1CCCC2.OB(O)c1ccc(F)c(F)c1.

What is the InChIKey of (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is BDTOVCUXIVRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2.C14H13F2N3O.C13H12F2N4O.C8H10IN3O.C6H5BF2O2/c1-13-2-4-14(5-3-13)10-19(29)27-8-9-28-18(12-27)20(22(25)30)21(26-28)15-6-7-16(23)17(24)11-15;15-9-5-4-8(7-10(9)16)13-12(14(17)20)11-3-1-2-6-19(11)18-13;14-8-2-1-7(5-9(8)15)12-11(13(16)20)10-6-17-3-4-19(10)18-12;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7;8-5-2-1-4(7(10)11)3-6(5)9/h2-7,11H,8-10,12H2,1H3,(H2,25,30);4-5,7H,1-3,6H2,(H2,17,20);1-2,5,17H,3-4,6H2,(H2,16,20);1-4H2,(H2,10,13);1-3,10-11H.

What are the key properties of (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

(3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1414.96 g/mol, XLogP of 6.68, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 157317406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).