N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine

C114H112N20O5S2 — CID 159181700

About N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine

N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine (PubChem CID 159181700) has the molecular formula C114H112N20O5S2 and a molecular weight of 1906.42 g/mol. Its IUPAC name is N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine.

Molecular Properties

• Compound Name: N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine
• PubChem CID: 159181700
• Molecular Formula: C114H112N20O5S2
• Molecular Weight: 1906.42 g/mol
• Exact Mass: 1904.86
• IUPAC Name: N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine
• SMILES: COc1ccc(-c2cc(-c3ccncn3)nn2-c2ccc(C)cc2)cc1.Cc1ccc(-n2nc(-c3ccc(NCCN(C(C)C)C(C)C)nc3)cc2-c2ccsc2)cc1C.Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccc(C(N)=O)s2)cc1C.Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CC(N)=O)cc1C.Cc1ccc(-n2nc(-c3cccnc3)cc2-c2ccc(C(N)=O)cc2)cc1C
• InChI: InChI=1S/C28H35N5S.C23H20N4O.C22H19N3OS.C21H18N4O.C20H20N4O2/c1-19(2)32(20(3)4)13-12-29-28-10-8-23(17-30-28)26-16-27(24-11-14-34-18-24)33(31-26)25-9-7-21(5)22(6)15-25;1-15-5-10-20(12-16(15)2)27-22(17-6-8-18(9-7-17)23(24)28)13-21(26-27)19-4-3-11-25-14-19;1-14-8-9-17(12-15(14)2)25-19(20-10-11-21(27-20)22(23)26)13-18(24-25)16-6-4-3-5-7-16;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;1-13-8-9-16(10-14(13)2)24-19(22-20(26)12-18(21)25)11-17(23-24)15-6-4-3-5-7-15/h7-11,14-20H,12-13H2,1-6H3,(H,29,30);3-14H,1-2H3,(H2,24,28);3-13H,1-2H3,(H2,23,26);3-14H,1-2H3;3-11H,12H2,1-2H3,(H2,21,25)(H,22,26)
• InChIKey: KMYZBBXZYBEIMN-UHFFFAOYSA-N
• XLogP: 23.39
• TPSA: 323.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.42
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

The IUPAC name of N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine (CID 159181700) is N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine.

What is the SMILES notation for N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

The canonical SMILES for N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine is COc1ccc(-c2cc(-c3ccncn3)nn2-c2ccc(C)cc2)cc1.Cc1ccc(-n2nc(-c3ccc(NCCN(C(C)C)C(C)C)nc3)cc2-c2ccsc2)cc1C.Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccc(C(N)=O)s2)cc1C.Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CC(N)=O)cc1C.Cc1ccc(-n2nc(-c3cccnc3)cc2-c2ccc(C(N)=O)cc2)cc1C.

What is the InChIKey of N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

The InChIKey is KMYZBBXZYBEIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5S.C23H20N4O.C22H19N3OS.C21H18N4O.C20H20N4O2/c1-19(2)32(20(3)4)13-12-29-28-10-8-23(17-30-28)26-16-27(24-11-14-34-18-24)33(31-26)25-9-7-21(5)22(6)15-25;1-15-5-10-20(12-16(15)2)27-22(17-6-8-18(9-7-17)23(24)28)13-21(26-27)19-4-3-11-25-14-19;1-14-8-9-17(12-15(14)2)25-19(20-10-11-21(27-20)22(23)26)13-18(24-25)16-6-4-3-5-7-16;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;1-13-8-9-16(10-14(13)2)24-19(22-20(26)12-18(21)25)11-17(23-24)15-6-4-3-5-7-15/h7-11,14-20H,12-13H2,1-6H3,(H,29,30);3-14H,1-2H3,(H2,24,28);3-13H,1-2H3,(H2,23,26);3-14H,1-2H3;3-11H,12H2,1-2H3,(H2,21,25)(H,22,26).

What are the key properties of N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine?

N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine has a molecular weight of 1906.42 g/mol, XLogP of 23.39, 26 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]propanediamide;5-[1-(3,4-dimethylphenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;4-[1-(3,4-dimethylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[5-[1-(3,4-dimethylphenyl)-5-thiophen-3-ylpyrazol-3-yl]-2-pyridinyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;4-[5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 159181700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).