4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C90H75B2Br2ClF14N18O6 — CID 160641510

About 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 160641510) has the molecular formula C90H75B2Br2ClF14N18O6 and a molecular weight of 1987.57 g/mol. Its IUPAC name is 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 160641510
• Molecular Formula: C90H75B2Br2ClF14N18O6
• Molecular Weight: 1987.57 g/mol
• Exact Mass: 1984.41
• IUPAC Name: 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1[nH]ncc1Br.Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1nn(-c2cc(F)ccc2F)cc1Br.O=C(Cl)c1c(F)cccc1F.OB(O)c1cc(F)ccc1F
• InChI: InChI=1S/C22H14F4N4O.2C15H12F2N4.C11H17BN2O2.C10H7BrF2N2.C7H3ClF2O.C6H5BF2O2.C4H5BrN2/c1-12-15(11-30(29-12)19-9-14(23)6-7-16(19)24)13-5-8-20(27-10-13)28-22(31)21-17(25)3-2-4-18(21)26;2*1-9-12(10-2-5-15(18)19-7-10)8-21(20-9)14-6-11(16)3-4-13(14)17;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-6-8(11)5-15(14-6)10-4-7(12)2-3-9(10)13;8-7(11)6-4(9)2-1-3-5(6)10;8-4-1-2-6(9)5(3-4)7(10)11;1-3-4(5)2-6-7-3/h2-11H,1H3,(H,27,28,31);2*2-8H,1H3,(H2,18,19);5-7H,1-4H3,(H2,13,14);2-5H,1H3;1-3H;1-3,10-11H;2H,1H3,(H,6,7)
• InChIKey: RJFSWFBAQHADPF-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 334.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.57
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

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 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 160641510) is 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1[nH]ncc1Br.Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1nn(-c2cc(F)ccc2F)cc1Br.O=C(Cl)c1c(F)cccc1F.OB(O)c1cc(F)ccc1F.

What is the InChIKey of 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is RJFSWFBAQHADPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O.2C15H12F2N4.C11H17BN2O2.C10H7BrF2N2.C7H3ClF2O.C6H5BF2O2.C4H5BrN2/c1-12-15(11-30(29-12)19-9-14(23)6-7-16(19)24)13-5-8-20(27-10-13)28-22(31)21-17(25)3-2-4-18(21)26;2*1-9-12(10-2-5-15(18)19-7-10)8-21(20-9)14-6-11(16)3-4-13(14)17;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-6-8(11)5-15(14-6)10-4-7(12)2-3-9(10)13;8-7(11)6-4(9)2-1-3-5(6)10;8-4-1-2-6(9)5(3-4)7(10)11;1-3-4(5)2-6-7-3/h2-11H,1H3,(H,27,28,31);2*2-8H,1H3,(H2,18,19);5-7H,1-4H3,(H2,13,14);2-5H,1H3;1-3H;1-3,10-11H;2H,1H3,(H,6,7).

What are the key properties of 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1987.57 g/mol, XLogP of 18.91, 12 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-(2,5-difluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;bis(5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);N-[5-[1-(2,5-difluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 160641510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).