2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid

C99H76ClFN20O14 — CID 159207013

About 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid

2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 159207013) has the molecular formula C99H76ClFN20O14 and a molecular weight of 1824.27 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid
• PubChem CID: 159207013
• Molecular Formula: C99H76ClFN20O14
• Molecular Weight: 1824.27 g/mol
• Exact Mass: 1822.55
• IUPAC Name: 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid
• SMILES: COC(=O)c1ccnc(-n2nccc2-c2ccc3c(c2)CN=C3)c1.Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(O)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccccc1.O=C(O)c1ccnc(-n2nccc2-c2ccc3c(c2)CN=C3)c1
• InChI: InChI=1S/C18H14N4O2.C17H12N4O2.C16H12ClN3O3.C16H12FN3O2.C16H13N3O3.C16H13N3O2/c1-24-18(23)13-4-6-20-17(9-13)22-16(5-7-21-22)12-2-3-14-10-19-11-15(14)8-12;22-17(23)12-3-5-19-16(8-12)21-15(4-6-20-21)11-1-2-13-9-18-10-14(13)7-11;1-9-8-19-20(14-7-11(16(22)23)4-5-18-14)15(9)10-2-3-12(17)13(21)6-10;1-10-9-19-20(14-8-12(16(21)22)6-7-18-14)15(10)11-2-4-13(17)5-3-11;1-10-2-3-11(8-14(10)20)13-5-7-18-19(13)15-9-12(16(21)22)4-6-17-15;1-11-10-18-19(15(11)12-5-3-2-4-6-12)14-9-13(16(20)21)7-8-17-14/h2-10H,11H2,1H3;1-9H,10H2,(H,22,23);2-8,21H,1H3,(H,22,23);2-9H,1H3,(H,21,22);2-9,20H,1H3,(H,21,22);2-10H,1H3,(H,20,21)
• InChIKey: KPZYAWCNVHLBNI-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 462.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1824.27
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?

The IUPAC name of 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 159207013) is 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?

The canonical SMILES for 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid is COC(=O)c1ccnc(-n2nccc2-c2ccc3c(c2)CN=C3)c1.Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(O)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccccc1.O=C(O)c1ccnc(-n2nccc2-c2ccc3c(c2)CN=C3)c1.

What is the InChIKey of 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?

The InChIKey is KPZYAWCNVHLBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2.C17H12N4O2.C16H12ClN3O3.C16H12FN3O2.C16H13N3O3.C16H13N3O2/c1-24-18(23)13-4-6-20-17(9-13)22-16(5-7-21-22)12-2-3-14-10-19-11-15(14)8-12;22-17(23)12-3-5-19-16(8-12)21-15(4-6-20-21)11-1-2-13-9-18-10-14(13)7-11;1-9-8-19-20(14-7-11(16(22)23)4-5-18-14)15(9)10-2-3-12(17)13(21)6-10;1-10-9-19-20(14-8-12(16(21)22)6-7-18-14)15(10)11-2-4-13(17)5-3-11;1-10-2-3-11(8-14(10)20)13-5-7-18-19(13)15-9-12(16(21)22)4-6-17-15;1-11-10-18-19(15(11)12-5-3-2-4-6-12)14-9-13(16(20)21)7-8-17-14/h2-10H,11H2,1H3;1-9H,10H2,(H,22,23);2-8,21H,1H3,(H,22,23);2-9H,1H3,(H,21,22);2-9,20H,1H3,(H,21,22);2-10H,1H3,(H,20,21).

What are the key properties of 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?

2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 1824.27 g/mol, XLogP of 17.19, 18 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 159207013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).