(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole

C60H69Br3ClF6N11O7 — CID 172949572

About (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole

(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole (PubChem CID 172949572) has the molecular formula C60H69Br3ClF6N11O7 and a molecular weight of 1445.43 g/mol. Its IUPAC name is (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole.

Molecular Properties

• Compound Name: (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole
• PubChem CID: 172949572
• Molecular Formula: C60H69Br3ClF6N11O7
• Molecular Weight: 1445.43 g/mol
• Exact Mass: 1441.25
• IUPAC Name: (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole
• SMILES: C=C(c1cc(C)n(COC)n1)C(F)(F)F.C=C(c1cc(C)nn1COC)C(F)(F)F.COCn1nc(C)cc1C1(C)CC(c2ccc(Br)c(C)c2)=NO1.COCn1nc(C2(C)CC(c3ccc(Br)c(C)c3)=NO2)cc1C.Cc1cc(/C(Cl)=N/O)ccc1Br
• InChI: InChI=1S/2C17H20BrN3O2.2C9H11F3N2O.C8H7BrClNO/c1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)21(19-16)10-22-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)19-21(16)10-22-4;1-6-4-8(7(2)9(10,11)12)13-14(6)5-15-3;1-6-4-8(7(2)9(10,11)12)14(13-6)5-15-3;1-5-4-6(8(10)11-12)2-3-7(5)9/h2*5-8H,9-10H2,1-4H3;2*4H,2,5H2,1,3H3;2-4,12H,1H3/b;;;;11-8-
• InChIKey: YHLJNJKVEQTHLF-SLALBPOKSA-N
• XLogP: 15.69
• TPSA: 183.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1445.43
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole?

The IUPAC name of (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole (CID 172949572) is (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole.

What is the SMILES notation for (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole?

The canonical SMILES for (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole is C=C(c1cc(C)n(COC)n1)C(F)(F)F.C=C(c1cc(C)nn1COC)C(F)(F)F.COCn1nc(C)cc1C1(C)CC(c2ccc(Br)c(C)c2)=NO1.COCn1nc(C2(C)CC(c3ccc(Br)c(C)c3)=NO2)cc1C.Cc1cc(/C(Cl)=N/O)ccc1Br.

What is the InChIKey of (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole?

The InChIKey is YHLJNJKVEQTHLF-SLALBPOKSA-N. The full InChI is InChI=1S/2C17H20BrN3O2.2C9H11F3N2O.C8H7BrClNO/c1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)21(19-16)10-22-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)19-21(16)10-22-4;1-6-4-8(7(2)9(10,11)12)13-14(6)5-15-3;1-6-4-8(7(2)9(10,11)12)14(13-6)5-15-3;1-5-4-6(8(10)11-12)2-3-7(5)9/h2*5-8H,9-10H2,1-4H3;2*4H,2,5H2,1,3H3;2-4,12H,1H3/b;;;;11-8-.

What are the key properties of (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole?

(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole has a molecular weight of 1445.43 g/mol, XLogP of 15.69, 15 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;1-(methoxymethyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;1-(methoxymethyl)-5-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole is sourced from PubChem (CID 172949572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).