6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one

C68H74ClF7N10O7 — CID 160712404

About 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one

6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one (PubChem CID 160712404) has the molecular formula C68H74ClF7N10O7 and a molecular weight of 1311.84 g/mol. Its IUPAC name is 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

• Compound Name: 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one
• PubChem CID: 160712404
• Molecular Formula: C68H74ClF7N10O7
• Molecular Weight: 1311.84 g/mol
• Exact Mass: 1310.53
• IUPAC Name: 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one
• SMILES: CC(=O)C1(C)CN2CCC(c3cccc(F)c3)N2C1=O.CC(=O)C1CN2CCC(c3cccc(F)c3)N2C1=O.CC(F)(F)C1(C)CN2CCC(c3cccc(F)c3)N2C1=O.O=C(CCCl)N1N=CCC1c1cccc(F)c1.O=C1CCN2CCC(c3cccc(F)c3)N12
• InChI: InChI=1S/C15H17F3N2O.C15H17FN2O2.C14H15FN2O2.C12H12ClFN2O.C12H13FN2O/c1-14(15(2,17)18)9-19-7-6-12(20(19)13(14)21)10-4-3-5-11(16)8-10;1-10(19)15(2)9-17-7-6-13(18(17)14(15)20)11-4-3-5-12(16)8-11;1-9(18)12-8-16-6-5-13(17(16)14(12)19)10-3-2-4-11(15)7-10;13-6-4-12(17)16-11(5-7-15-16)9-2-1-3-10(14)8-9;13-10-3-1-2-9(8-10)11-4-6-14-7-5-12(16)15(11)14/h3-5,8,12H,6-7,9H2,1-2H3;3-5,8,13H,6-7,9H2,1-2H3;2-4,7,12-13H,5-6,8H2,1H3;1-3,7-8,11H,4-6H2;1-3,8,11H,4-7H2
• InChIKey: RSALVBLVIHRKCB-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 161.01 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.84
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one?

The IUPAC name of 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one (CID 160712404) is 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

What is the SMILES notation for 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one?

The canonical SMILES for 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one is CC(=O)C1(C)CN2CCC(c3cccc(F)c3)N2C1=O.CC(=O)C1CN2CCC(c3cccc(F)c3)N2C1=O.CC(F)(F)C1(C)CN2CCC(c3cccc(F)c3)N2C1=O.O=C(CCCl)N1N=CCC1c1cccc(F)c1.O=C1CCN2CCC(c3cccc(F)c3)N12.

What is the InChIKey of 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one?

The InChIKey is RSALVBLVIHRKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O.C15H17FN2O2.C14H15FN2O2.C12H12ClFN2O.C12H13FN2O/c1-14(15(2,17)18)9-19-7-6-12(20(19)13(14)21)10-4-3-5-11(16)8-10;1-10(19)15(2)9-17-7-6-13(18(17)14(15)20)11-4-3-5-12(16)8-11;1-9(18)12-8-16-6-5-13(17(16)14(12)19)10-3-2-4-11(15)7-10;13-6-4-12(17)16-11(5-7-15-16)9-2-1-3-10(14)8-9;13-10-3-1-2-9(8-10)11-4-6-14-7-5-12(16)15(11)14/h3-5,8,12H,6-7,9H2,1-2H3;3-5,8,13H,6-7,9H2,1-2H3;2-4,7,12-13H,5-6,8H2,1H3;1-3,7-8,11H,4-6H2;1-3,8,11H,4-7H2.

What are the key properties of 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one?

6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 1311.84 g/mol, XLogP of 10.88, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;6-acetyl-3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one;3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one;6-(1,1-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 160712404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).