2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

C72H49BBr2ClF9N18O5 — CID 158337148

About 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 158337148) has the molecular formula C72H49BBr2ClF9N18O5 and a molecular weight of 1623.36 g/mol. Its IUPAC name is 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• PubChem CID: 158337148
• Molecular Formula: C72H49BBr2ClF9N18O5
• Molecular Weight: 1623.36 g/mol
• Exact Mass: 1620.21
• IUPAC Name: 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• SMILES: Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1ccccc1Br.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccccc1-c1ccccc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccccc1Br.OB(O)c1ccccc1
• InChI: InChI=1S/C26H17F3N6O.C20H12BrF3N6O.C13H9F3N6.C7H4BrClO.C6H7BO2/c27-26(28,29)22-15-21(18-9-6-14-30-16-18)34-35(22)24-13-12-23(32-33-24)31-25(36)20-11-5-4-10-19(20)17-7-2-1-3-8-17;21-14-6-2-1-5-13(14)19(31)26-17-7-8-18(28-27-17)30-16(20(22,23)24)10-15(29-30)12-4-3-9-25-11-12;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-16H,(H,31,32,36);1-11H,(H,26,27,31);1-7H,(H2,17,19);1-4H;1-5,8-9H
• InChIKey: GQSKBELEXYYOSY-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 311.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1623.36
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The IUPAC name of 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 158337148) is 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

What is the SMILES notation for 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The canonical SMILES for 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1ccccc1Br.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccccc1-c1ccccc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccccc1Br.OB(O)c1ccccc1.

What is the InChIKey of 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The InChIKey is GQSKBELEXYYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N6O.C20H12BrF3N6O.C13H9F3N6.C7H4BrClO.C6H7BO2/c27-26(28,29)22-15-21(18-9-6-14-30-16-18)34-35(22)24-13-12-23(32-33-24)31-25(36)20-11-5-4-10-19(20)17-7-2-1-3-8-17;21-14-6-2-1-5-13(14)19(31)26-17-7-8-18(28-27-17)30-16(20(22,23)24)10-15(29-30)12-4-3-9-25-11-12;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-16H,(H,31,32,36);1-11H,(H,26,27,31);1-7H,(H2,17,19);1-4H;1-5,8-9H.

What are the key properties of 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 1623.36 g/mol, XLogP of 14.94, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromobenzoyl chloride;2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 158337148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).