C21H19N3O3 — CID 135848030
N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 135848030) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
| Compound Name | N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide |
|---|---|
| PubChem CID | 135848030 |
| Molecular Formula | C21H19N3O3 |
| Molecular Weight | 361.40 g/mol |
| Exact Mass | 361.14 |
| IUPAC Name | N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide |
| SMILES | CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccoc3)cc12 |
| InChI | InChI=1S/C21H19N3O3/c1-2-3-20(26)22-21-18-10-16(14-8-9-27-12-14)17(11-19(18)23-24-21)13-4-6-15(25)7-5-13/h4-12,25H,2-3H2,1H3,(H2,22,23,24,26) |
| InChIKey | NXBUNGONSJSJHG-UHFFFAOYSA-N |
| XLogP | 4.93 |
| TPSA | 91.15 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 27 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 361.40 |
| LogP ≤ 5 | 4.93 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |