2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid

C108H78Cl2FN15O10 — CID 157450781

About 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid

2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid (PubChem CID 157450781) has the molecular formula C108H78Cl2FN15O10 and a molecular weight of 1835.81 g/mol. Its IUPAC name is 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid.

Molecular Properties

• Compound Name: 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
• PubChem CID: 157450781
• Molecular Formula: C108H78Cl2FN15O10
• Molecular Weight: 1835.81 g/mol
• Exact Mass: 1833.54
• IUPAC Name: 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
• SMILES: Cc1cc(-c2nn(-c3ccccc3)cc2-c2cccc(C(=O)O)c2C)ccn1.Cc1ccc(C(=O)O)cc1-c1cn(-c2ccccc2)nc1-c1ccncc1.O=C(O)c1ccc(Cl)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.O=C(O)c1ccc(F)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.O=C(O)c1cccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1Cl
• InChI: InChI=1S/C23H19N3O2.C22H17N3O2.2C21H14ClN3O2.C21H14FN3O2/c1-15-13-17(11-12-24-15)22-21(14-26(25-22)18-7-4-3-5-8-18)19-9-6-10-20(16(19)2)23(27)28;1-15-7-8-17(22(26)27)13-19(15)20-14-25(18-5-3-2-4-6-18)24-21(20)16-9-11-23-12-10-16;22-19-16(7-4-8-17(19)21(26)27)18-13-25(15-5-2-1-3-6-15)24-20(18)14-9-11-23-12-10-14;2*22-19-7-6-15(21(26)27)12-17(19)18-13-25(16-4-2-1-3-5-16)24-20(18)14-8-10-23-11-9-14/h3-14H,1-2H3,(H,27,28);2-14H,1H3,(H,26,27);3*1-13H,(H,26,27)
• InChIKey: BSTUQDWIDQCQCW-UHFFFAOYSA-N
• XLogP: 23.87
• TPSA: 340.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1835.81
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?

The IUPAC name of 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid (CID 157450781) is 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid.

What is the SMILES notation for 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?

The canonical SMILES for 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid is Cc1cc(-c2nn(-c3ccccc3)cc2-c2cccc(C(=O)O)c2C)ccn1.Cc1ccc(C(=O)O)cc1-c1cn(-c2ccccc2)nc1-c1ccncc1.O=C(O)c1ccc(Cl)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.O=C(O)c1ccc(F)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.O=C(O)c1cccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1Cl.

What is the InChIKey of 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?

The InChIKey is BSTUQDWIDQCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2.C22H17N3O2.2C21H14ClN3O2.C21H14FN3O2/c1-15-13-17(11-12-24-15)22-21(14-26(25-22)18-7-4-3-5-8-18)19-9-6-10-20(16(19)2)23(27)28;1-15-7-8-17(22(26)27)13-19(15)20-14-25(18-5-3-2-4-6-18)24-21(20)16-9-11-23-12-10-16;22-19-16(7-4-8-17(19)21(26)27)18-13-25(15-5-2-1-3-6-15)24-20(18)14-9-11-23-12-10-14;2*22-19-7-6-15(21(26)27)12-17(19)18-13-25(16-4-2-1-3-5-16)24-20(18)14-8-10-23-11-9-14/h3-14H,1-2H3,(H,27,28);2-14H,1H3,(H,26,27);3*1-13H,(H,26,27).

What are the key properties of 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?

2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid has a molecular weight of 1835.81 g/mol, XLogP of 23.87, 20 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 157450781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).