3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

C36H21Br2ClF6N12O2S2 — CID 160783544

About 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 160783544) has the molecular formula C36H21Br2ClF6N12O2S2 and a molecular weight of 1027.03 g/mol. Its IUPAC name is 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• PubChem CID: 160783544
• Molecular Formula: C36H21Br2ClF6N12O2S2
• Molecular Weight: 1027.03 g/mol
• Exact Mass: 1023.93
• IUPAC Name: 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• SMILES: Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1.O=C(Cl)c1cccc(Br)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
• InChI: InChI=1S/C18H10BrF3N6OS.C11H7F3N6S.C7H4BrClO/c19-11-3-1-2-10(8-11)16(29)24-14-4-5-15(26-25-14)28-13(18(20,21)22)9-12(27-28)17-23-6-7-30-17;12-11(13,14)7-5-6(10-16-3-4-21-10)19-20(7)9-2-1-8(15)17-18-9;8-6-3-1-2-5(4-6)7(9)10/h1-9H,(H,24,25,29);1-5H,(H2,15,17);1-4H
• InChIKey: SAXBMGIEUQRHMH-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 185.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1027.03
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 160783544) is 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

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

The canonical SMILES for 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1.O=C(Cl)c1cccc(Br)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.

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

The InChIKey is SAXBMGIEUQRHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF3N6OS.C11H7F3N6S.C7H4BrClO/c19-11-3-1-2-10(8-11)16(29)24-14-4-5-15(26-25-14)28-13(18(20,21)22)9-12(27-28)17-23-6-7-30-17;12-11(13,14)7-5-6(10-16-3-4-21-10)19-20(7)9-2-1-8(15)17-18-9;8-6-3-1-2-5(4-6)7(9)10/h1-9H,(H,24,25,29);1-5H,(H2,15,17);1-4H.

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

3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 1027.03 g/mol, XLogP of 10.03, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromobenzoyl chloride;3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 160783544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).