5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C95H111ClN22O11 — CID 157209820

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

5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 157209820) has the molecular formula C95H111ClN22O11 and a molecular weight of 1772.53 g/mol. Its IUPAC name is 5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 157209820
• Molecular Formula: C95H111ClN22O11
• Molecular Weight: 1772.53 g/mol
• Exact Mass: 1770.85
• IUPAC Name: 5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)nc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3cnc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)ccc1N1CCOCC1
• InChI: InChI=1S/C25H31N5O3.C24H25N5O2.C23H27ClN6O3.C23H28N6O3/c1-15-10-18(4-5-21(15)30-6-8-33-9-7-30)13-20-22(24(26)32)25(29-28-20)27-14-19-11-16(2)23(31)17(3)12-19;1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-5-7-19(8-6-17)29-9-3-4-10-29;1-13-7-15(8-14(2)20(13)31)11-26-22-19(21(25)32)18(28-29-22)10-16-9-17(24)23(27-12-16)30-3-5-33-6-4-30;1-14-9-17(10-15(2)21(14)30)13-26-23-20(22(24)31)18(27-28-23)11-16-3-4-19(25-12-16)29-5-7-32-8-6-29/h4-5,10-12,31H,6-9,13-14H2,1-3H3,(H2,26,32)(H2,27,28,29);3-12,30H,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28);7-9,12,31H,3-6,10-11H2,1-2H3,(H2,25,32)(H2,26,28,29);3-4,9-10,12,30H,5-8,11,13H2,1-2H3,(H2,24,31)(H2,26,27,28)
• InChIKey: ARTMOXLYIIFTDP-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 484.24 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.53
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 157209820) is 5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

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

The canonical SMILES for 5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)nc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3cnc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)ccc1N1CCOCC1.

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

The InChIKey is ARTMOXLYIIFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3.C24H25N5O2.C23H27ClN6O3.C23H28N6O3/c1-15-10-18(4-5-21(15)30-6-8-33-9-7-30)13-20-22(24(26)32)25(29-28-20)27-14-19-11-16(2)23(31)17(3)12-19;1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-5-7-19(8-6-17)29-9-3-4-10-29;1-13-7-15(8-14(2)20(13)31)11-26-22-19(21(25)32)18(28-29-22)10-16-9-17(24)23(27-12-16)30-3-5-33-6-4-30;1-14-9-17(10-15(2)21(14)30)13-26-23-20(22(24)31)18(27-28-23)11-16-3-4-19(25-12-16)29-5-7-32-8-6-29/h4-5,10-12,31H,6-9,13-14H2,1-3H3,(H2,26,32)(H2,27,28,29);3-12,30H,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28);7-9,12,31H,3-6,10-11H2,1-2H3,(H2,25,32)(H2,26,28,29);3-4,9-10,12,30H,5-8,11,13H2,1-2H3,(H2,24,31)(H2,26,27,28).

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

5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1772.53 g/mol, XLogP of 12.19, 28 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157209820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).