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

C64H61BCl8IN15O7 — CID 157311343

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

(3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane (PubChem CID 157311343) has the molecular formula C64H61BCl8IN15O7 and a molecular weight of 1573.63 g/mol. Its IUPAC name is (3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: (3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane
• PubChem CID: 157311343
• Molecular Formula: C64H61BCl8IN15O7
• Molecular Weight: 1573.63 g/mol
• Exact Mass: 1569.15
• IUPAC Name: (3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane
• SMILES: C.NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CCCC2.NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CNCC2.NC(=O)c1c(I)nn2c1CCCC2.OB(O)c1ccc(Cl)c(Cl)c1.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4ccc(Cl)c(Cl)c4)c(C(N)=O)c3C2)cc1
• InChI: InChI=1S/C22H17Cl2N5O2.C14H13Cl2N3O.C13H12Cl2N4O.C8H10IN3O.C6H5BCl2O2.CH4/c1-26-15-5-2-13(3-6-15)10-19(30)28-8-9-29-18(12-28)20(22(25)31)21(27-29)14-4-7-16(23)17(24)11-14;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,(H2,25,31);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;1H4
• InChIKey: BDBPIQAOTIPQRE-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 320.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1573.63
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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 (3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane?

The IUPAC name of (3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane (CID 157311343) is (3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane.

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

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

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

The InChIKey is BDBPIQAOTIPQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2.C14H13Cl2N3O.C13H12Cl2N4O.C8H10IN3O.C6H5BCl2O2.CH4/c1-26-15-5-2-13(3-6-15)10-19(30)28-8-9-29-18(12-28)20(22(25)31)21(27-29)14-4-7-16(23)17(24)11-14;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,(H2,25,31);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;1H4.

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

(3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane has a molecular weight of 1573.63 g/mol, XLogP of 11.67, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dichlorophenyl)boronic acid;2-(3,4-dichlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;methane is sourced from PubChem (CID 157311343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).