AC1NTX4S
4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: 4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one|(3E)-4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one|(3Z)-4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one|4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one|4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one|4-(4-fluorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C22H16FN3O3 |
|---|---|
| Molecular Weight | 389.11758 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.11758 |
| Monoisotopic Mass | 389.11758 |
| Heavy Atoms | 29 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 879946-56-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC3=C2C(N(C3=O)CC4=CC=CO4)C5=CC=C(C=C5)F)O |
| InChIKey | ZFHOAABWSJRMCN-UHFFFAOYSA-N |
Product Overview
AC1NTX4S (CAS 879946-56-2), with molecular formula C22H16FN3O3 and molecular weight 389.11758 g/mol. IUPAC: 4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
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