2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one

C146H151F2N15O29 — CID 158575368

About 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one

2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one (PubChem CID 158575368) has the molecular formula C146H151F2N15O29 and a molecular weight of 2617.89 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one
• PubChem CID: 158575368
• Molecular Formula: C146H151F2N15O29
• Molecular Weight: 2617.89 g/mol
• Exact Mass: 2616.08
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one
• SMILES: COc1ccc(-c2ccn(C(=O)c3ccc4c(c3)OCO4)n2)cc1OC.COc1ccc(C2=NN(C(=O)CCc3cccc(F)c3)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)Cc3ccc4c(c3)OCO4)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc1OC.COc1ccc(C2=NN(C(=O)Cc3cccc(F)c3)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCO4)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)c3cccc(C#N)c3)CC2(C)C)cc1OC
• InChI: InChI=1S/C22H25FN2O3.C22H24N2O5.C21H23FN2O3.C21H21N3O3.C21H22N2O5.C20H20N2O5.C19H16N2O5/c1-22(2)14-25(20(26)11-8-15-6-5-7-17(23)12-15)24-21(22)16-9-10-18(27-3)19(13-16)28-4;1-22(2)12-24(20(25)10-14-5-7-17-19(9-14)29-13-28-17)23-21(22)15-6-8-16(26-3)18(11-15)27-4;1-21(2)13-24(19(25)11-14-6-5-7-16(22)10-14)23-20(21)15-8-9-17(26-3)18(12-15)27-4;1-21(2)13-24(20(25)16-7-5-6-14(10-16)12-22)23-19(21)15-8-9-17(26-3)18(11-15)27-4;1-21(2)11-23(20(24)14-6-8-16-18(10-14)28-12-27-16)22-19(21)13-5-7-15(25-3)17(9-13)26-4;1-24-16-6-4-14(11-18(16)25-2)15-7-8-22(21-15)20(23)10-13-3-5-17-19(9-13)27-12-26-17;1-23-15-5-3-12(9-17(15)24-2)14-7-8-21(20-14)19(22)13-4-6-16-18(10-13)26-11-25-16/h5-7,9-10,12-13H,8,11,14H2,1-4H3;5-9,11H,10,12-13H2,1-4H3;5-10,12H,11,13H2,1-4H3;5-11H,13H2,1-4H3;5-10H,11-12H2,1-4H3;3-6,9,11H,7-8,10,12H2,1-2H3;3-10H,11H2,1-2H3
• InChIKey: HSPAZBLSQMNPPK-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 457.76 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2617.89
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one (CID 158575368) is 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one is COc1ccc(-c2ccn(C(=O)c3ccc4c(c3)OCO4)n2)cc1OC.COc1ccc(C2=NN(C(=O)CCc3cccc(F)c3)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)Cc3ccc4c(c3)OCO4)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc1OC.COc1ccc(C2=NN(C(=O)Cc3cccc(F)c3)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCO4)CC2(C)C)cc1OC.COc1ccc(C2=NN(C(=O)c3cccc(C#N)c3)CC2(C)C)cc1OC.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one?

The InChIKey is HSPAZBLSQMNPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3.C22H24N2O5.C21H23FN2O3.C21H21N3O3.C21H22N2O5.C20H20N2O5.C19H16N2O5/c1-22(2)14-25(20(26)11-8-15-6-5-7-17(23)12-15)24-21(22)16-9-10-18(27-3)19(13-16)28-4;1-22(2)12-24(20(25)10-14-5-7-17-19(9-14)29-13-28-17)23-21(22)15-6-8-16(26-3)18(11-15)27-4;1-21(2)13-24(19(25)11-14-6-5-7-16(22)10-14)23-20(21)15-8-9-17(26-3)18(12-15)27-4;1-21(2)13-24(20(25)16-7-5-6-14(10-16)12-22)23-19(21)15-8-9-17(26-3)18(11-15)27-4;1-21(2)11-23(20(24)14-6-8-16-18(10-14)28-12-27-16)22-19(21)13-5-7-15(25-3)17(9-13)26-4;1-24-16-6-4-14(11-18(16)25-2)15-7-8-22(21-15)20(23)10-13-3-5-17-19(9-13)27-12-26-17;1-23-15-5-3-12(9-17(15)24-2)14-7-8-21(20-14)19(22)13-4-6-16-18(10-13)26-11-25-16/h5-7,9-10,12-13H,8,11,14H2,1-4H3;5-9,11H,10,12-13H2,1-4H3;5-10,12H,11,13H2,1-4H3;5-11H,13H2,1-4H3;5-10H,11-12H2,1-4H3;3-6,9,11H,7-8,10,12H2,1-2H3;3-10H,11H2,1-2H3.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one?

2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one has a molecular weight of 2617.89 g/mol, XLogP of 23.33, 33 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone;2-(1,3-benzodioxol-5-yl)-1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]ethanone;1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]methanone;1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]methanone;3-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carbonyl]benzonitrile;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-2-(3-fluorophenyl)ethanone;1-[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-3-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 158575368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).