3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide

C146H129Cl5F2N36O12 — CID 157337497

About 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide

3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 157337497) has the molecular formula C146H129Cl5F2N36O12 and a molecular weight of 2795.14 g/mol. Its IUPAC name is 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide
• PubChem CID: 157337497
• Molecular Formula: C146H129Cl5F2N36O12
• Molecular Weight: 2795.14 g/mol
• Exact Mass: 2790.90
• IUPAC Name: 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide
• SMILES: Cc1cc(NC(=O)c2cccc(-n3cc(CC(=O)Nc4ccc(F)cc4)cn3)c2)ccn1.Cc1cc(NC(=O)c2cccc(-n3nc(C)c(CC(=O)Nc4ccccc4Cl)c3C)c2)ccn1.Cc1cc(NC(=O)c2cccc(-n3ncc(CC(=O)Nc4ccccc4Cl)c3C)c2)ccn1.O=C(Cc1cnn(-c2cccc(C(=O)Nc3ccnc(F)c3)c2)c1)Nc1ccccc1Cl.O=C(Nc1cnn(-c2cccc(C(=O)Nc3cnn(C4CCNC4)c3)c2)c1)Nc1ccccc1Cl.O=C(Nc1cnn(-c2cccc(C(=O)Nc3cnn(C4CCNC4)c3)c2)c1)Nc1ccccc1Cl
• InChI: InChI=1S/C26H24ClN5O2.C25H22ClN5O2.2C24H23ClN8O2.C24H20FN5O2.C23H17ClFN5O2/c1-16-13-20(11-12-28-16)29-26(34)19-7-6-8-21(14-19)32-18(3)22(17(2)31-32)15-25(33)30-24-10-5-4-9-23(24)27;1-16-12-20(10-11-27-16)29-25(33)18-6-5-7-21(13-18)31-17(2)19(15-28-31)14-24(32)30-23-9-4-3-8-22(23)26;2*25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20;1-16-11-21(9-10-26-16)29-24(32)18-3-2-4-22(13-18)30-15-17(14-27-30)12-23(31)28-20-7-5-19(25)6-8-20;24-19-6-1-2-7-20(19)29-22(31)10-15-13-27-30(14-15)18-5-3-4-16(11-18)23(32)28-17-8-9-26-21(25)12-17/h4-14H,15H2,1-3H3,(H,30,33)(H,28,29,34);3-13,15H,14H2,1-2H3,(H,30,32)(H,27,29,33);2*1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35);2-11,13-15H,12H2,1H3,(H,28,31)(H,26,29,32);1-9,11-14H,10H2,(H,29,31)(H,26,28,32)
• InChIKey: BFZUWPOILJFJNC-UHFFFAOYSA-N
• XLogP: 27.20
• TPSA: 591.44 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2795.14
LogP ≤ 5	27.20
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide?

The IUPAC name of 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide (CID 157337497) is 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide.

What is the SMILES notation for 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide?

The canonical SMILES for 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide is Cc1cc(NC(=O)c2cccc(-n3cc(CC(=O)Nc4ccc(F)cc4)cn3)c2)ccn1.Cc1cc(NC(=O)c2cccc(-n3nc(C)c(CC(=O)Nc4ccccc4Cl)c3C)c2)ccn1.Cc1cc(NC(=O)c2cccc(-n3ncc(CC(=O)Nc4ccccc4Cl)c3C)c2)ccn1.O=C(Cc1cnn(-c2cccc(C(=O)Nc3ccnc(F)c3)c2)c1)Nc1ccccc1Cl.O=C(Nc1cnn(-c2cccc(C(=O)Nc3cnn(C4CCNC4)c3)c2)c1)Nc1ccccc1Cl.O=C(Nc1cnn(-c2cccc(C(=O)Nc3cnn(C4CCNC4)c3)c2)c1)Nc1ccccc1Cl.

What is the InChIKey of 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide?

The InChIKey is BFZUWPOILJFJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2.C25H22ClN5O2.2C24H23ClN8O2.C24H20FN5O2.C23H17ClFN5O2/c1-16-13-20(11-12-28-16)29-26(34)19-7-6-8-21(14-19)32-18(3)22(17(2)31-32)15-25(33)30-24-10-5-4-9-23(24)27;1-16-12-20(10-11-27-16)29-25(33)18-6-5-7-21(13-18)31-17(2)19(15-28-31)14-24(32)30-23-9-4-3-8-22(23)26;2*25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20;1-16-11-21(9-10-26-16)29-24(32)18-3-2-4-22(13-18)30-15-17(14-27-30)12-23(31)28-20-7-5-19(25)6-8-20;24-19-6-1-2-7-20(19)29-22(31)10-15-13-27-30(14-15)18-5-3-4-16(11-18)23(32)28-17-8-9-26-21(25)12-17/h4-14H,15H2,1-3H3,(H,30,33)(H,28,29,34);3-13,15H,14H2,1-2H3,(H,30,32)(H,27,29,33);2*1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35);2-11,13-15H,12H2,1H3,(H,28,31)(H,26,29,32);1-9,11-14H,10H2,(H,29,31)(H,26,28,32).

What are the key properties of 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide?

3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 2795.14 g/mol, XLogP of 27.20, 36 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]-5-methylpyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-fluoro-4-pyridinyl)benzamide;bis(3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)benzamide);3-[4-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-1-yl]-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 157337497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).