AC1NTX4S structure

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

CAS: 879946-56-2
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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