Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate
C161H149F2N27O27 — CID 159639654
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACmethyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate
SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)OC)ccn2)cc1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)c(F)c2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2cccc(F)c2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccccc2)c1
InChIInChI=1S/C19H19N3O3.C18H16FN3O3.5C18H17N3O3.C17H14FN3O3.C17H15N3O3/c1-3-14-4-6-15(7-5-14)13-25-18-9-11-21-22(18)17-12-16(8-10-20-17)19(23)24-2;1-12-3-4-13(9-15(12)19)11-25-17-6-8-21-22(17)16-10-14(5-7-20-16)18(23)24-2;5*1-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(7-9-19-16)18(22)23-2;1-23-17(22)13-5-7-19-15(10-13)21-16(6-8-20-21)24-11-12-3-2-4-14(18)9-12;1-22-17(21)14-7-9-18-15(11-14)20-16(8-10-19-20)23-12-13-5-3-2-4-6-13/h4-12H,3,13H2,1-2H3;3-10H,11H2,1-2H3;5*3-11H,12H2,1-2H3;2-10H,11H2,1H3;2-11H,12H2,1H3
InChIKeyMQENUJXWCPCZKN-UHFFFAOYSA-N
MW2932.12 g/mol
LogP26.39
Rot. Bonds46
About Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate
Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate (PubChem CID 159639654) has the molecular formula C161H149F2N27O27 and a molecular weight of 2932.12 g/mol. Its IUPAC name is methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate.
Molecular Properties
| Compound Name | Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate |
|---|---|
| PubChem CID | 159639654 |
| Molecular Formula | C161H149F2N27O27 |
| Molecular Weight | 2932.12 g/mol |
| Exact Mass | 2930.11 |
| IUPAC Name | methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate |
| SMILES | CCc1ccc(COc2ccnn2-c2cc(C(=O)OC)ccn2)cc1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)c(F)c2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2cccc(F)c2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccccc2)c1 |
| InChI | InChI=1S/C19H19N3O3.C18H16FN3O3.5C18H17N3O3.C17H14FN3O3.C17H15N3O3/c1-3-14-4-6-15(7-5-14)13-25-18-9-11-21-22(18)17-12-16(8-10-20-17)19(23)24-2;1-12-3-4-13(9-15(12)19)11-25-17-6-8-21-22(17)16-10-14(5-7-20-16)18(23)24-2;5*1-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(7-9-19-16)18(22)23-2;1-23-17(22)13-5-7-19-15(10-13)21-16(6-8-20-21)24-11-12-3-2-4-14(18)9-12;1-22-17(21)14-7-9-18-15(11-14)20-16(8-10-19-20)23-12-13-5-3-2-4-6-13/h4-12H,3,13H2,1-2H3;3-10H,11H2,1-2H3;5*3-11H,12H2,1-2H3;2-10H,11H2,1H3;2-11H,12H2,1H3 |
| InChIKey | MQENUJXWCPCZKN-UHFFFAOYSA-N |
| XLogP | 26.39 |
| TPSA | 596.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 217 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2932.12 |
| LogP ≤ 5 | 26.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 54 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate?
The IUPAC name of Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate (CID 159639654) is methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate?
The canonical SMILES for Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate is CCc1ccc(COc2ccnn2-c2cc(C(=O)OC)ccn2)cc1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)c(F)c2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)cc2)c1.COC(=O)c1ccnc(-n2nccc2OCc2cccc(F)c2)c1.COC(=O)c1ccnc(-n2nccc2OCc2ccccc2)c1.
What is the InChIKey of Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate?
The InChIKey is MQENUJXWCPCZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3.C18H16FN3O3.5C18H17N3O3.C17H14FN3O3.C17H15N3O3/c1-3-14-4-6-15(7-5-14)13-25-18-9-11-21-22(18)17-12-16(8-10-20-17)19(23)24-2;1-12-3-4-13(9-15(12)19)11-25-17-6-8-21-22(17)16-10-14(5-7-20-16)18(23)24-2;5*1-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(7-9-19-16)18(22)23-2;1-23-17(22)13-5-7-19-15(10-13)21-16(6-8-20-21)24-11-12-3-2-4-14(18)9-12;1-22-17(21)14-7-9-18-15(11-14)20-16(8-10-19-20)23-12-13-5-3-2-4-6-13/h4-12H,3,13H2,1-2H3;3-10H,11H2,1-2H3;5*3-11H,12H2,1-2H3;2-10H,11H2,1H3;2-11H,12H2,1H3.
What are the key properties of Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate?
Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate has a molecular weight of 2932.12 g/mol, XLogP of 26.39, 46 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 159639654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159639654 — identifiers, structure, computed properties (public domain)
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