4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine

C99H75Cl8N21O5S2 — CID 159461608

About 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine

4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine (PubChem CID 159461608) has the molecular formula C99H75Cl8N21O5S2 and a molecular weight of 1986.59 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine.

Molecular Properties

• Compound Name: 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine
• PubChem CID: 159461608
• Molecular Formula: C99H75Cl8N21O5S2
• Molecular Weight: 1986.59 g/mol
• Exact Mass: 1981.32
• IUPAC Name: 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine
• SMILES: CCCNc1ccc(-c2cc(-c3ccsc3)n(-c3ccc(Cl)c(Cl)c3)n2)cn1.COc1ccc(-c2cc(-c3ccncn3)nn2-c2ccc(C)cc2)cc1.NC(=O)CC(=O)Nc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)s1
• InChI: InChI=1S/C21H14Cl2N4O.C21H18Cl2N4S.C21H18N4O.C19H12Cl2N4OS.C17H13Cl2N5O2/c22-17-8-7-16(10-18(17)23)27-20(13-3-5-14(6-4-13)21(24)28)11-19(26-27)15-2-1-9-25-12-15;1-2-8-24-21-6-3-14(12-25-21)19-11-20(15-7-9-28-13-15)27(26-19)16-4-5-17(22)18(23)10-16;1-15-3-7-17(8-4-15)25-21(16-5-9-18(26-2)10-6-16)13-20(24-25)19-11-12-22-14-23-19;20-13-4-3-12(8-14(13)21)25-16(17-5-6-18(27-17)19(22)26)9-15(24-25)11-2-1-7-23-10-11;18-12-4-3-11(6-13(12)19)24-16(22-17(26)8-15(20)25)7-14(23-24)10-2-1-5-21-9-10/h1-12H,(H2,24,28);3-7,9-13H,2,8H2,1H3,(H,24,25);3-14H,1-2H3;1-10H,(H2,22,26);1-7,9H,8H2,(H2,20,25)(H,22,26)
• InChIKey: LUQVGZPQZQVDRL-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 346.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1986.59
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

The IUPAC name of 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine (CID 159461608) is 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine.

What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine is CCCNc1ccc(-c2cc(-c3ccsc3)n(-c3ccc(Cl)c(Cl)c3)n2)cn1.COc1ccc(-c2cc(-c3ccncn3)nn2-c2ccc(C)cc2)cc1.NC(=O)CC(=O)Nc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)s1.

What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

The InChIKey is LUQVGZPQZQVDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O.C21H18Cl2N4S.C21H18N4O.C19H12Cl2N4OS.C17H13Cl2N5O2/c22-17-8-7-16(10-18(17)23)27-20(13-3-5-14(6-4-13)21(24)28)11-19(26-27)15-2-1-9-25-12-15;1-2-8-24-21-6-3-14(12-25-21)19-11-20(15-7-9-28-13-15)27(26-19)16-4-5-17(22)18(23)10-16;1-15-3-7-17(8-4-15)25-21(16-5-9-18(26-2)10-6-16)13-20(24-25)19-11-12-22-14-23-19;20-13-4-3-12(8-14(13)21)25-16(17-5-6-18(27-17)19(22)26)9-15(24-25)11-2-1-7-23-10-11;18-12-4-3-11(6-13(12)19)24-16(22-17(26)8-15(20)25)7-14(23-24)10-2-1-5-21-9-10/h1-12H,(H2,24,28);3-7,9-13H,2,8H2,1H3,(H,24,25);3-14H,1-2H3;1-10H,(H2,22,26);1-7,9H,8H2,(H2,20,25)(H,22,26).

What are the key properties of 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine has a molecular weight of 1986.59 g/mol, XLogP of 24.24, 23 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N'-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]propanediamide;5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;5-[1-(3,4-dichlorophenyl)-5-thiophen-3-ylpyrazol-3-yl]-N-propylpyridin-2-amine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 159461608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).