3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C97H115N23O10 — CID 160917680

About 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 160917680) has the molecular formula C97H115N23O10 and a molecular weight of 1763.14 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 160917680
• Molecular Formula: C97H115N23O10
• Molecular Weight: 1763.14 g/mol
• Exact Mass: 1761.92
• IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccccn4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(C)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cn3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCOCC1
• InChI: InChI=1S/C25H32N6O2.C25H25N5O2.C24H30N6O3.C23H28N6O3/c1-16-12-19(13-17(2)23(16)32)15-27-25-22(24(26)33)21(28-29-25)14-18-4-6-20(7-5-18)31-10-8-30(3)9-11-31;1-15-11-18(12-16(2)23(15)31)14-28-25-22(24(26)32)21(29-30-25)13-17-6-8-19(9-7-17)20-5-3-4-10-27-20;1-14-8-17(9-15(2)21(14)31)12-26-23-20(22(25)32)19(28-29-23)11-18-10-16(3)24(27-13-18)30-4-6-33-7-5-30;1-14-9-16(10-15(2)21(14)30)12-26-23-20(22(24)31)19(27-28-23)11-17-3-4-18(13-25-17)29-5-7-32-8-6-29/h4-7,12-13,32H,8-11,14-15H2,1-3H3,(H2,26,33)(H2,27,28,29);3-12,31H,13-14H2,1-2H3,(H2,26,32)(H2,28,29,30);8-10,13,31H,4-7,11-12H2,1-3H3,(H2,25,32)(H2,26,28,29);3-4,9-10,13,30H,5-8,11-12H2,1-2H3,(H2,24,31)(H2,26,27,28)
• InChIKey: SRPUPCALUQOVNT-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 486.21 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.14
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 160917680) is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccccn4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(C)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cn3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCOCC1.

What is the InChIKey of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The InChIKey is SRPUPCALUQOVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2.C25H25N5O2.C24H30N6O3.C23H28N6O3/c1-16-12-19(13-17(2)23(16)32)15-27-25-22(24(26)33)21(28-29-25)14-18-4-6-20(7-5-18)31-10-8-30(3)9-11-31;1-15-11-18(12-16(2)23(15)31)14-28-25-22(24(26)32)21(29-30-25)13-17-6-8-19(9-7-17)20-5-3-4-10-27-20;1-14-8-17(9-15(2)21(14)31)12-26-23-20(22(25)32)19(28-29-23)11-18-10-16(3)24(27-13-18)30-4-6-33-7-5-30;1-14-9-16(10-15(2)21(14)30)12-26-23-20(22(24)31)19(27-28-23)11-17-3-4-18(13-25-17)29-5-7-32-8-6-29/h4-7,12-13,32H,8-11,14-15H2,1-3H3,(H2,26,33)(H2,27,28,29);3-12,31H,13-14H2,1-2H3,(H2,26,32)(H2,28,29,30);8-10,13,31H,4-7,11-12H2,1-3H3,(H2,25,32)(H2,26,28,29);3-4,9-10,13,30H,5-8,11-12H2,1-2H3,(H2,24,31)(H2,26,27,28).

What are the key properties of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1763.14 g/mol, XLogP of 11.72, 28 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 160917680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).