1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

C154H147F13N16O27 — CID 157251984

About 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (PubChem CID 157251984) has the molecular formula C154H147F13N16O27 and a molecular weight of 2900.93 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
• PubChem CID: 157251984
• Molecular Formula: C154H147F13N16O27
• Molecular Weight: 2900.93 g/mol
• Exact Mass: 2899.04
• IUPAC Name: 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
• SMILES: COc1cc(C2=NN(C(=O)c3cccc(F)c3)CC2)ccc1F.COc1ccc(-c2ccn(C(=O)c3cccc(F)c3)n2)cc1OC.COc1ccc(C2=NN(C(=O)CCc3cccc(F)c3)C(C)(C)C2)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc(C)c(F)c3)CC2)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc(OC)c(F)c3F)CC2)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCO4)C(C)(C)C2)cc1OC.COc1ccc(C2=NN(C(=O)c3cccc(F)c3C(F)(F)F)CC2)cc1OC.COc1ccc(C2=NN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1OC
• InChI: InChI=1S/C22H25FN2O3.C21H22N2O5.C19H16F4N2O3.2C19H18F2N2O4.C19H19FN2O3.C18H15FN2O3.C17H14F2N2O2/c1-22(2)14-18(16-9-10-19(27-3)20(13-16)28-4)24-25(22)21(26)11-8-15-6-5-7-17(23)12-15;1-21(2)11-15(13-5-7-16(25-3)18(9-13)26-4)22-23(21)20(24)14-6-8-17-19(10-14)28-12-27-17;1-27-15-7-6-11(10-16(15)28-2)14-8-9-25(24-14)18(26)12-4-3-5-13(20)17(12)19(21,22)23;1-25-14-6-4-11(10-16(14)27-3)13-8-9-23(22-13)19(24)12-5-7-15(26-2)18(21)17(12)20;1-25-16-7-6-12(11-17(16)26-2)15-8-9-23(22-15)18(24)13-4-3-5-14(10-13)27-19(20)21;1-12-4-5-14(10-15(12)20)19(23)22-9-8-16(21-22)13-6-7-17(24-2)18(11-13)25-3;1-23-16-7-6-12(11-17(16)24-2)15-8-9-21(20-15)18(22)13-4-3-5-14(19)10-13;1-23-16-10-11(5-6-14(16)19)15-7-8-21(20-15)17(22)12-3-2-4-13(18)9-12/h5-7,9-10,12-13H,8,11,14H2,1-4H3;5-10H,11-12H2,1-4H3;3-7,10H,8-9H2,1-2H3;4-7,10H,8-9H2,1-3H3;3-7,10-11,19H,8-9H2,1-2H3;4-7,10-11H,8-9H2,1-3H3;3-11H,1-2H3;2-6,9-10H,7-8H2,1H3
• InChIKey: AWLHVOSWBHZPQQ-UHFFFAOYSA-N
• XLogP: 28.58
• TPSA: 438.95 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2900.93
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?

The IUPAC name of 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (CID 157251984) is 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.

What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?

The canonical SMILES for 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is COc1cc(C2=NN(C(=O)c3cccc(F)c3)CC2)ccc1F.COc1ccc(-c2ccn(C(=O)c3cccc(F)c3)n2)cc1OC.COc1ccc(C2=NN(C(=O)CCc3cccc(F)c3)C(C)(C)C2)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc(C)c(F)c3)CC2)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc(OC)c(F)c3F)CC2)cc1OC.COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCO4)C(C)(C)C2)cc1OC.COc1ccc(C2=NN(C(=O)c3cccc(F)c3C(F)(F)F)CC2)cc1OC.COc1ccc(C2=NN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1OC.

What is the InChIKey of 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?

The InChIKey is AWLHVOSWBHZPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3.C21H22N2O5.C19H16F4N2O3.2C19H18F2N2O4.C19H19FN2O3.C18H15FN2O3.C17H14F2N2O2/c1-22(2)14-18(16-9-10-19(27-3)20(13-16)28-4)24-25(22)21(26)11-8-15-6-5-7-17(23)12-15;1-21(2)11-15(13-5-7-16(25-3)18(9-13)26-4)22-23(21)20(24)14-6-8-17-19(10-14)28-12-27-17;1-27-15-7-6-11(10-16(15)28-2)14-8-9-25(24-14)18(26)12-4-3-5-13(20)17(12)19(21,22)23;1-25-14-6-4-11(10-16(14)27-3)13-8-9-23(22-13)19(24)12-5-7-15(26-2)18(21)17(12)20;1-25-16-7-6-12(11-17(16)26-2)15-8-9-23(22-15)18(24)13-4-3-5-14(10-13)27-19(20)21;1-12-4-5-14(10-15(12)20)19(23)22-9-8-16(21-22)13-6-7-17(24-2)18(11-13)25-3;1-23-16-7-6-12(11-17(16)24-2)15-8-9-21(20-15)18(22)13-4-3-5-14(19)10-13;1-23-16-10-11(5-6-14(16)19)15-7-8-21(20-15)17(22)12-3-2-4-13(18)9-12/h5-7,9-10,12-13H,8,11,14H2,1-4H3;5-10H,11-12H2,1-4H3;3-7,10H,8-9H2,1-2H3;4-7,10H,8-9H2,1-3H3;3-7,10-11,19H,8-9H2,1-2H3;4-7,10-11H,8-9H2,1-3H3;3-11H,1-2H3;2-6,9-10H,7-8H2,1H3.

What are the key properties of 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?

1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 2900.93 g/mol, XLogP of 28.58, 36 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 157251984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).