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

C112H115N19O7S — CID 158792833

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

2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (PubChem CID 158792833) has the molecular formula C112H115N19O7S and a molecular weight of 1871.34 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-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-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
• PubChem CID: 158792833
• Molecular Formula: C112H115N19O7S
• Molecular Weight: 1871.34 g/mol
• Exact Mass: 1869.89
• IUPAC Name: 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
• SMILES: COc1cc(C2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)ncn1.COc1cnc(C2=CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)nc1.COc1cnc(C2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)nc1.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(C)c(C)c3)cc1-c1ccccc1)C2
• InChI: InChI=1S/2C29H31N5O2.C29H29N5O2.C25H24N4OS/c1-20-9-10-24(15-21(20)2)26-16-27(23-7-5-4-6-8-23)34(32-26)18-29(35)33-13-11-22(12-14-33)25-17-28(36-3)31-19-30-25;2*1-20-9-10-24(15-21(20)2)26-16-27(22-7-5-4-6-8-22)34(32-26)19-28(35)33-13-11-23(12-14-33)29-30-17-25(36-3)18-31-29;1-16-9-10-20(11-17(16)2)21-12-23(19-7-5-4-6-8-19)29(27-21)15-25(30)28-13-22-24(14-28)31-18(3)26-22/h4-10,15-17,19,22H,11-14,18H2,1-3H3;4-10,15-18,23H,11-14,19H2,1-3H3;4-11,15-18H,12-14,19H2,1-3H3;4-12H,13-15H2,1-3H3
• InChIKey: ISMLOIZCCHDYDE-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 270.44 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.34
LogP ≤ 5	20.17
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-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-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-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (CID 158792833) is 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-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-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-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-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is COc1cc(C2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)ncn1.COc1cnc(C2=CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)nc1.COc1cnc(C2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)nc1.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(C)c(C)c3)cc1-c1ccccc1)C2.

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

The InChIKey is ISMLOIZCCHDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31N5O2.C29H29N5O2.C25H24N4OS/c1-20-9-10-24(15-21(20)2)26-16-27(23-7-5-4-6-8-23)34(32-26)18-29(35)33-13-11-22(12-14-33)25-17-28(36-3)31-19-30-25;2*1-20-9-10-24(15-21(20)2)26-16-27(22-7-5-4-6-8-22)34(32-26)19-28(35)33-13-11-23(12-14-33)29-30-17-25(36-3)18-31-29;1-16-9-10-20(11-17(16)2)21-12-23(19-7-5-4-6-8-19)29(27-21)15-25(30)28-13-22-24(14-28)31-18(3)26-22/h4-10,15-17,19,22H,11-14,18H2,1-3H3;4-10,15-18,23H,11-14,19H2,1-3H3;4-11,15-18H,12-14,19H2,1-3H3;4-12H,13-15H2,1-3H3.

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

2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 1871.34 g/mol, XLogP of 20.17, 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-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperidin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 158792833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).