5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide

C96H108ClN21O9 — CID 158998287

About 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 158998287) has the molecular formula C96H108ClN21O9 and a molecular weight of 1735.51 g/mol. Its IUPAC name is 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 158998287
• Molecular Formula: C96H108ClN21O9
• Molecular Weight: 1735.51 g/mol
• Exact Mass: 1733.83
• IUPAC Name: 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
• SMILES: COc1ccc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cc1.Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccccc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(-n4ccnc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3cnc(N4CCN(C(C)C)CC4)c(Cl)c3)c2C(N)=O)cc(C)c1O
• InChI: InChI=1S/C26H34ClN7O2.C26H26N4O2.C23H24N6O2.C21H24N4O3/c1-15(2)33-5-7-34(8-6-33)26-20(27)11-19(14-30-26)12-21-22(24(28)36)25(32-31-21)29-13-18-9-16(3)23(35)17(4)10-18;1-16-12-19(13-17(2)24(16)31)15-28-26-23(25(27)32)22(29-30-26)14-18-8-10-21(11-9-18)20-6-4-3-5-7-20;1-14-9-17(10-15(2)21(14)30)12-26-23-20(22(24)31)19(27-28-23)11-16-3-5-18(6-4-16)29-8-7-25-13-29;1-12-8-15(9-13(2)19(12)26)11-23-21-18(20(22)27)17(24-25-21)10-14-4-6-16(28-3)7-5-14/h9-11,14-15,35H,5-8,12-13H2,1-4H3,(H2,28,36)(H2,29,31,32);3-13,31H,14-15H2,1-2H3,(H2,27,32)(H2,28,29,30);3-10,13,30H,11-12H2,1-2H3,(H2,24,31)(H2,26,27,28);4-9,26H,10-11H2,1-3H3,(H2,22,27)(H2,23,24,25)
• InChIKey: JRAFFSNPISPVHT-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 462.54 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1735.51
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 158998287) is 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide is COc1ccc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cc1.Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccccc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(-n4ccnc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3cnc(N4CCN(C(C)C)CC4)c(Cl)c3)c2C(N)=O)cc(C)c1O.

What is the InChIKey of 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The InChIKey is JRAFFSNPISPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN7O2.C26H26N4O2.C23H24N6O2.C21H24N4O3/c1-15(2)33-5-7-34(8-6-33)26-20(27)11-19(14-30-26)12-21-22(24(28)36)25(32-31-21)29-13-18-9-16(3)23(35)17(4)10-18;1-16-12-19(13-17(2)24(16)31)15-28-26-23(25(27)32)22(29-30-26)14-18-8-10-21(11-9-18)20-6-4-3-5-7-20;1-14-9-17(10-15(2)21(14)30)12-26-23-20(22(24)31)19(27-28-23)11-16-3-5-18(6-4-16)29-8-7-25-13-29;1-12-8-15(9-13(2)19(12)26)11-23-21-18(20(22)27)17(24-25-21)10-14-4-6-16(28-3)7-5-14/h9-11,14-15,35H,5-8,12-13H2,1-4H3,(H2,28,36)(H2,29,31,32);3-13,31H,14-15H2,1-2H3,(H2,27,32)(H2,28,29,30);3-10,13,30H,11-12H2,1-2H3,(H2,24,31)(H2,26,27,28);4-9,26H,10-11H2,1-3H3,(H2,22,27)(H2,23,24,25).

What are the key properties of 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide?

5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1735.51 g/mol, XLogP of 14.58, 29 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158998287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).