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

C67H72BF4IN14O7 — CID 160509015

About (3-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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 160509015) has the molecular formula C67H72BF4IN14O7 and a molecular weight of 1399.11 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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: 160509015
• Molecular Formula: C67H72BF4IN14O7
• Molecular Weight: 1399.11 g/mol
• Exact Mass: 1398.48
• IUPAC Name: (3-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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: Cc1cc(F)cc(-c2nn3c(c2C(N)=O)CCCC3)c1.Cc1cc(F)cc(-c2nn3c(c2C(N)=O)CNCC3)c1.Cc1cc(F)cc(B(O)O)c1.Cc1ccc(CC(=O)N2CCn3nc(-c4cc(C)cc(F)c4)c(C(N)=O)c3C2)cc1.NC(=O)c1c(I)nn2c1CCCC2
• InChI: InChI=1S/C23H23FN4O2.C15H16FN3O.C14H15FN4O.C8H10IN3O.C7H8BFO2/c1-14-3-5-16(6-4-14)11-20(29)27-7-8-28-19(13-27)21(23(25)30)22(26-28)17-9-15(2)10-18(24)12-17;1-9-6-10(8-11(16)7-9)14-13(15(17)20)12-4-2-3-5-19(12)18-14;1-8-4-9(6-10(15)5-8)13-12(14(16)20)11-7-17-2-3-19(11)18-13;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7;1-5-2-6(8(10)11)4-7(9)3-5/h3-6,9-10,12H,7-8,11,13H2,1-2H3,(H2,25,30);6-8H,2-5H2,1H3,(H2,17,20);4-6,17H,2-3,7H2,1H3,(H2,16,20);1-4H2,(H2,10,13);2-4,10-11H,1H3
• InChIKey: QSUJEGMIDXXNKK-UHFFFAOYSA-N
• XLogP: 7.36
• 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	1399.11
LogP ≤ 5	7.36
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-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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 160509015) is (3-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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 Cc1cc(F)cc(-c2nn3c(c2C(N)=O)CCCC3)c1.Cc1cc(F)cc(-c2nn3c(c2C(N)=O)CNCC3)c1.Cc1cc(F)cc(B(O)O)c1.Cc1ccc(CC(=O)N2CCn3nc(-c4cc(C)cc(F)c4)c(C(N)=O)c3C2)cc1.NC(=O)c1c(I)nn2c1CCCC2.

What is the InChIKey of (3-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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 QSUJEGMIDXXNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2.C15H16FN3O.C14H15FN4O.C8H10IN3O.C7H8BFO2/c1-14-3-5-16(6-4-14)11-20(29)27-7-8-28-19(13-27)21(23(25)30)22(26-28)17-9-15(2)10-18(24)12-17;1-9-6-10(8-11(16)7-9)14-13(15(17)20)12-4-2-3-5-19(12)18-14;1-8-4-9(6-10(15)5-8)13-12(14(16)20)11-7-17-2-3-19(11)18-13;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7;1-5-2-6(8(10)11)4-7(9)3-5/h3-6,9-10,12H,7-8,11,13H2,1-2H3,(H2,25,30);6-8H,2-5H2,1H3,(H2,17,20);4-6,17H,2-3,7H2,1H3,(H2,16,20);1-4H2,(H2,10,13);2-4,10-11H,1H3.

What are the key properties of (3-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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 1399.11 g/mol, XLogP of 7.36, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-5-methylphenyl)boronic acid;2-(3-fluoro-5-methylphenyl)-5-[2-(4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-fluoro-5-methylphenyl)-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 160509015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).