4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane

C72H64BBr2Cl2F4N17O3 — CID 159913595

About 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane

4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane (PubChem CID 159913595) has the molecular formula C72H64BBr2Cl2F4N17O3 and a molecular weight of 1532.94 g/mol. Its IUPAC name is 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane.

Molecular Properties

• Compound Name: 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane
• PubChem CID: 159913595
• Molecular Formula: C72H64BBr2Cl2F4N17O3
• Molecular Weight: 1532.94 g/mol
• Exact Mass: 1529.32
• IUPAC Name: 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane
• SMILES: C.CC(Cl)Cl.Cn1cc(-c2ccc3ncc(NC=O)n3c2)c(-c2ccc(F)cc2)n1.Cn1cc(Br)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2[nH]ncc2Br)cc1.[C-]#[N+]c1cnc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
• InChI: InChI=1S/C18H14FN5O.C18H12FN5.C14H16BN3O2.C10H8BrFN2.C9H6BrFN2.C2H4Cl2.CH4/c1-23-10-15(18(22-23)12-2-5-14(19)6-3-12)13-4-7-16-20-8-17(21-11-25)24(16)9-13;1-20-17-9-21-16-8-5-13(10-24(16)17)15-11-23(2)22-18(15)12-3-6-14(19)7-4-12;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-14-6-9(11)10(13-14)7-2-4-8(12)5-3-7;10-8-5-12-13-9(8)6-1-3-7(11)4-2-6;1-2(3)4;/h2-11H,1H3,(H,21,25);3-11H,2H3;6-9H,1-4H3;2-6H,1H3;1-5H,(H,12,13);2H,1H3;1H4
• InChIKey: NXMJPFRRTXOBID-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 190.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.94
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

The IUPAC name of 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane (CID 159913595) is 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane.

What is the SMILES notation for 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

The canonical SMILES for 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane is C.CC(Cl)Cl.Cn1cc(-c2ccc3ncc(NC=O)n3c2)c(-c2ccc(F)cc2)n1.Cn1cc(Br)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2[nH]ncc2Br)cc1.[C-]#[N+]c1cnc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.

What is the InChIKey of 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

The InChIKey is NXMJPFRRTXOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O.C18H12FN5.C14H16BN3O2.C10H8BrFN2.C9H6BrFN2.C2H4Cl2.CH4/c1-23-10-15(18(22-23)12-2-5-14(19)6-3-12)13-4-7-16-20-8-17(21-11-25)24(16)9-13;1-20-17-9-21-16-8-5-13(10-24(16)17)15-11-23(2)22-18(15)12-3-6-14(19)7-4-12;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-14-6-9(11)10(13-14)7-2-4-8(12)5-3-7;10-8-5-12-13-9(8)6-1-3-7(11)4-2-6;1-2(3)4;/h2-11H,1H3,(H,21,25);3-11H,2H3;6-9H,1-4H3;2-6H,1H3;1-5H,(H,12,13);2H,1H3;1H4.

What are the key properties of 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane has a molecular weight of 1532.94 g/mol, XLogP of 17.80, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;4-bromo-5-(4-fluorophenyl)-1H-pyrazole;1,1-dichloroethane;N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane is sourced from PubChem (CID 159913595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).