C97H73F10N21O14 — CID 158957929
N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-(4-fluorophenyl)acetamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-hydroxybenzamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 158957929) has the molecular formula C97H73F10N21O14 and a molecular weight of 1946.76 g/mol. Its IUPAC name is N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-(4-fluorophenyl)acetamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-hydroxybenzamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide.
| Compound Name | N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-(4-fluorophenyl)acetamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-hydroxybenzamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 158957929 |
| Molecular Formula | C97H73F10N21O14 |
| Molecular Weight | 1946.76 g/mol |
| Exact Mass | 1945.55 |
| IUPAC Name | N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-(4-fluorophenyl)acetamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-2-hydroxybenzamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide |
| SMILES | O=C(CCc1ccc(O)cc1)Nc1cc(-c2cc(F)ccc2O)[nH]n1.O=C(Cc1ccc(F)cc1)Nc1cc(-c2cc(F)ccc2O)[nH]n1.O=C(Nc1cc(-c2cc(F)ccc2O)[nH]n1)c1ccc(C(F)(F)F)cc1.O=C(Nc1cc(-c2cc(F)ccc2O)[nH]n1)c1ccccc1O.O=C(Nc1cc(-c2cc(F)ccc2O)[nH]n1)c1cccnc1.O=C(Nc1cc(-c2cc(F)ccc2O)[nH]n1)c1cnccn1 |
| InChI | InChI=1S/C18H16FN3O3.C17H11F4N3O2.C17H13F2N3O2.C16H12FN3O3.C15H11FN4O2.C14H10FN5O2/c19-12-4-7-16(24)14(9-12)15-10-17(22-21-15)20-18(25)8-3-11-1-5-13(23)6-2-11;18-11-5-6-14(25)12(7-11)13-8-15(24-23-13)22-16(26)9-1-3-10(4-2-9)17(19,20)21;18-11-3-1-10(2-4-11)7-17(24)20-16-9-14(21-22-16)13-8-12(19)5-6-15(13)23;17-9-5-6-14(22)11(7-9)12-8-15(20-19-12)18-16(23)10-3-1-2-4-13(10)21;16-10-3-4-13(21)11(6-10)12-7-14(20-19-12)18-15(22)9-2-1-5-17-8-9;15-8-1-2-12(21)9(5-8)10-6-13(20-19-10)18-14(22)11-7-16-3-4-17-11/h1-2,4-7,9-10,23-24H,3,8H2,(H2,20,21,22,25);1-8,25H,(H2,22,23,24,26);1-6,8-9,23H,7H2,(H2,20,21,22,24);1-8,21-22H,(H2,18,19,20,23);1-8,21H,(H2,18,19,20,22);1-7,21H,(H2,18,19,20,22) |
| InChIKey | JMGCHDMFJIYGLG-UHFFFAOYSA-N |
| XLogP | 18.04 |
| TPSA | 547.19 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1946.76 |
| LogP ≤ 5 | 18.04 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 23 |