2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)

C170H153Cl2F2N27O28 — CID 158433745

About 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)

2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid) (PubChem CID 158433745) has the molecular formula C170H153Cl2F2N27O28 and a molecular weight of 3131.16 g/mol. Its IUPAC name is 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid).

Molecular Properties

• Compound Name: 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)
• PubChem CID: 158433745
• Molecular Formula: C170H153Cl2F2N27O28
• Molecular Weight: 3131.16 g/mol
• Exact Mass: 3128.07
• IUPAC Name: 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)
• SMILES: CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1.CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1.COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2Cl)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2F)c1
• InChI: InChI=1S/2C20H19N3O3.C19H16ClN3O3.C19H16FN3O3.2C19H17N3O3.C18H16ClN3O3.C18H16FN3O3.C18H17N3O4/c2*1-13-5-6-16-14(11-13)3-2-4-17(16)26-19-8-10-22-23(19)18-12-15(20(24)25)7-9-21-18;2*20-16-9-13(12-1-2-12)3-4-15(16)11-26-18-6-8-22-23(18)17-10-14(19(24)25)5-7-21-17;2*1-12-2-4-15-13(10-12)3-5-16(15)25-18-7-9-21-22(18)17-11-14(19(23)24)6-8-20-17;2*1-2-12-3-4-14(15(19)9-12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16;1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h2*5-12,17H,2-4H2,1H3,(H,24,25);2*3-10,12H,1-2,11H2,(H,24,25);2*2,4,6-11,16H,3,5H2,1H3,(H,23,24);2*3-10H,2,11H2,1H3,(H,23,24);3-10H,11H2,1-2H3,(H,22,23)
• InChIKey: HBZALWQGURRWLN-UHFFFAOYSA-N
• XLogP: 31.65
• TPSA: 704.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 46
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3131.16
LogP ≤ 5	31.65
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)?

The IUPAC name of 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid) (CID 158433745) is 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid).

What is the SMILES notation for 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)?

The canonical SMILES for 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid) is CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1.CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1.COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc2c(c1)CCCC2Oc1ccnn1-c1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2Cl)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2F)c1.

What is the InChIKey of 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)?

The InChIKey is HBZALWQGURRWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19N3O3.C19H16ClN3O3.C19H16FN3O3.2C19H17N3O3.C18H16ClN3O3.C18H16FN3O3.C18H17N3O4/c2*1-13-5-6-16-14(11-13)3-2-4-17(16)26-19-8-10-22-23(19)18-12-15(20(24)25)7-9-21-18;2*20-16-9-13(12-1-2-12)3-4-15(16)11-26-18-6-8-22-23(18)17-10-14(19(24)25)5-7-21-17;2*1-12-2-4-15-13(10-12)3-5-16(15)25-18-7-9-21-22(18)17-11-14(19(23)24)6-8-20-17;2*1-2-12-3-4-14(15(19)9-12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16;1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h2*5-12,17H,2-4H2,1H3,(H,24,25);2*3-10,12H,1-2,11H2,(H,24,25);2*2,4,6-11,16H,3,5H2,1H3,(H,23,24);2*3-10H,2,11H2,1H3,(H,23,24);3-10H,11H2,1-2H3,(H,22,23).

What are the key properties of 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)?

2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid) has a molecular weight of 3131.16 g/mol, XLogP of 31.65, 46 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid) is sourced from PubChem (CID 158433745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).