2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone

C96H113N19O7S — CID 159808450

About 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone

2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (PubChem CID 159808450) has the molecular formula C96H113N19O7S and a molecular weight of 1677.15 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
• PubChem CID: 159808450
• Molecular Formula: C96H113N19O7S
• Molecular Weight: 1677.15 g/mol
• Exact Mass: 1675.88
• IUPAC Name: 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
• SMILES: CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1CC=C(c2cc(OC)ncn2)CC1.CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1CC=C(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1CCC(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1Cc2nc(C)sc2C1
• InChI: InChI=1S/C25H29N5O2.C25H31N5O2.C25H29N5O2.C21H24N4OS/c1-5-21-13-23(20-7-6-17(2)18(3)12-20)28-30(21)15-25(31)29-10-8-19(9-11-29)22-14-24(32-4)27-16-26-22;2*1-5-21-13-23(20-7-6-17(2)18(3)12-20)28-30(21)16-24(31)29-10-8-19(9-11-29)25-26-14-22(32-4)15-27-25;1-5-17-9-18(16-7-6-13(2)14(3)8-16)23-25(17)12-21(26)24-10-19-20(11-24)27-15(4)22-19/h6-8,12-14,16H,5,9-11,15H2,1-4H3;6-7,12-15,19H,5,8-11,16H2,1-4H3;6-8,12-15H,5,9-11,16H2,1-4H3;6-9H,5,10-12H2,1-4H3
• InChIKey: NKRZFQRNWAQRFN-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 270.44 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.15
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?

The IUPAC name of 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (CID 159808450) is 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.

What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?

The canonical SMILES for 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1CC=C(c2cc(OC)ncn2)CC1.CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1CC=C(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1CCC(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(C)c(C)c2)nn1CC(=O)N1Cc2nc(C)sc2C1.

What is the InChIKey of 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?

The InChIKey is NKRZFQRNWAQRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.C25H31N5O2.C25H29N5O2.C21H24N4OS/c1-5-21-13-23(20-7-6-17(2)18(3)12-20)28-30(21)15-25(31)29-10-8-19(9-11-29)22-14-24(32-4)27-16-26-22;2*1-5-21-13-23(20-7-6-17(2)18(3)12-20)28-30(21)16-24(31)29-10-8-19(9-11-29)25-26-14-22(32-4)15-27-25;1-5-17-9-18(16-7-6-13(2)14(3)8-16)23-25(17)12-21(26)24-10-19-20(11-24)27-15(4)22-19/h6-8,12-14,16H,5,9-11,15H2,1-4H3;6-7,12-15,19H,5,8-11,16H2,1-4H3;6-8,12-15H,5,9-11,16H2,1-4H3;6-9H,5,10-12H2,1-4H3.

What are the key properties of 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?

2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 1677.15 g/mol, XLogP of 15.66, 22 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-ethylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 159808450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).