4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid

C109H80F2N16O15 — CID 158242141

About 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid

4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid (PubChem CID 158242141) has the molecular formula C109H80F2N16O15 and a molecular weight of 1891.93 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid.

Molecular Properties

• Compound Name: 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid
• PubChem CID: 158242141
• Molecular Formula: C109H80F2N16O15
• Molecular Weight: 1891.93 g/mol
• Exact Mass: 1890.60
• IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid
• SMILES: C=C(O)c1ccc(-n2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1.COC(=O)c1ccc(-n2cc(-c3cc(F)cc(F)c3)cn2)cc1.COC(=O)c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1.COC(=O)c1ccc(-n2cc(-c3nc4ccccc4o3)cn2)cc1.O=C(O)c1ccc(-n2cc(-c3ccc4c(c3)OCC4)cn2)cc1.O=C(O)c1cccc(-n2cc(-c3ccc4ccccc4n3)cn2)c1
• InChI: InChI=1S/C20H15N3O2.C19H13N3O2.C18H13N3O3.C18H14N2O3.C17H12F2N2O2.C17H13N3O3/c1-25-20(24)14-6-8-16(9-7-14)23-13-15(12-22-23)17-10-11-21-19-5-3-2-4-18(17)19;23-19(24)14-5-3-6-16(10-14)22-12-15(11-20-22)18-9-8-13-4-1-2-7-17(13)21-18;1-23-18(22)12-6-8-14(9-7-12)21-11-13(10-19-21)17-20-15-4-2-3-5-16(15)24-17;21-18(22)13-3-5-16(6-4-13)20-11-15(10-19-20)14-2-1-12-7-8-23-17(12)9-14;1-23-17(22)11-2-4-16(5-3-11)21-10-13(9-20-21)12-6-14(18)8-15(19)7-12;1-12(21)13-6-8-15(9-7-13)19-11-14(10-18-19)16-4-2-3-5-17(16)20(22)23/h2-13H,1H3;1-12H,(H,23,24);2-11H,1H3;1-6,9-11H,7-8H2,(H,21,22);2-10H,1H3;2-11,21H,1H2
• InChIKey: GFRBLISYNHGISM-UHFFFAOYSA-N
• XLogP: 21.88
• TPSA: 384.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.93
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid?

The IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid (CID 158242141) is 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid.

What is the SMILES notation for 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid?

The canonical SMILES for 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid is C=C(O)c1ccc(-n2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1.COC(=O)c1ccc(-n2cc(-c3cc(F)cc(F)c3)cn2)cc1.COC(=O)c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1.COC(=O)c1ccc(-n2cc(-c3nc4ccccc4o3)cn2)cc1.O=C(O)c1ccc(-n2cc(-c3ccc4c(c3)OCC4)cn2)cc1.O=C(O)c1cccc(-n2cc(-c3ccc4ccccc4n3)cn2)c1.

What is the InChIKey of 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid?

The InChIKey is GFRBLISYNHGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.C19H13N3O2.C18H13N3O3.C18H14N2O3.C17H12F2N2O2.C17H13N3O3/c1-25-20(24)14-6-8-16(9-7-14)23-13-15(12-22-23)17-10-11-21-19-5-3-2-4-18(17)19;23-19(24)14-5-3-6-16(10-14)22-12-15(11-20-22)18-9-8-13-4-1-2-7-17(13)21-18;1-23-18(22)12-6-8-14(9-7-12)21-11-13(10-19-21)17-20-15-4-2-3-5-16(15)24-17;21-18(22)13-3-5-16(6-4-13)20-11-15(10-19-20)14-2-1-12-7-8-23-17(12)9-14;1-23-17(22)11-2-4-16(5-3-11)21-10-13(9-20-21)12-6-14(18)8-15(19)7-12;1-12(21)13-6-8-15(9-7-13)19-11-14(10-18-19)16-4-2-3-5-17(16)20(22)23/h2-13H,1H3;1-12H,(H,23,24);2-11H,1H3;1-6,9-11H,7-8H2,(H,21,22);2-10H,1H3;2-11,21H,1H2.

What are the key properties of 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid?

4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid has a molecular weight of 1891.93 g/mol, XLogP of 21.88, 19 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,3-dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;methyl 4-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoate;methyl 4-[4-(3,5-difluorophenyl)pyrazol-1-yl]benzoate;methyl 4-(4-quinolin-4-ylpyrazol-1-yl)benzoate;1-[4-[4-(2-nitrophenyl)pyrazol-1-yl]phenyl]ethenol;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid is sourced from PubChem (CID 158242141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).