5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C101H126ClN21O11 — CID 158548343

About 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 158548343) has the molecular formula C101H126ClN21O11 and a molecular weight of 1845.71 g/mol. Its IUPAC name is 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 158548343
• Molecular Formula: C101H126ClN21O11
• Molecular Weight: 1845.71 g/mol
• Exact Mass: 1843.96
• IUPAC Name: 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(C(C)C)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)cc(C)c1O
• InChI: InChI=1S/C27H36N6O2.C26H33N5O3.C24H28ClN5O3.C24H29N5O3/c1-17(2)32-9-11-33(12-10-32)22-7-5-20(6-8-22)15-23-24(26(28)35)27(31-30-23)29-16-21-13-18(3)25(34)19(4)14-21;1-15-9-20(10-16(2)24(15)32)12-28-26-23(25(27)33)22(29-30-26)11-19-5-7-21(8-6-19)31-13-17(3)34-18(4)14-31;1-14-9-17(10-15(2)22(14)31)13-27-24-21(23(26)32)19(28-29-24)12-16-3-4-20(18(25)11-16)30-5-7-33-8-6-30;1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-3-5-19(6-4-17)29-7-9-32-10-8-29/h5-8,13-14,17,34H,9-12,15-16H2,1-4H3,(H2,28,35)(H2,29,30,31);5-10,17-18,32H,11-14H2,1-4H3,(H2,27,33)(H2,28,29,30);3-4,9-11,31H,5-8,12-13H2,1-2H3,(H2,26,32)(H2,27,28,29);3-6,11-12,30H,7-10,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28)/t;17-,18+
• InChIKey: HPKHHNMCPVQQJE-VOSLHSMISA-N
• XLogP: 13.61
• TPSA: 460.01 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1845.71
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 158548343) is 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(C(C)C)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)cc(C)c1O.

What is the InChIKey of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The InChIKey is HPKHHNMCPVQQJE-VOSLHSMISA-N. The full InChI is InChI=1S/C27H36N6O2.C26H33N5O3.C24H28ClN5O3.C24H29N5O3/c1-17(2)32-9-11-33(12-10-32)22-7-5-20(6-8-22)15-23-24(26(28)35)27(31-30-23)29-16-21-13-18(3)25(34)19(4)14-21;1-15-9-20(10-16(2)24(15)32)12-28-26-23(25(27)33)22(29-30-26)11-19-5-7-21(8-6-19)31-13-17(3)34-18(4)14-31;1-14-9-17(10-15(2)22(14)31)13-27-24-21(23(26)32)19(28-29-24)12-16-3-4-20(18(25)11-16)30-5-7-33-8-6-30;1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-3-5-19(6-4-17)29-7-9-32-10-8-29/h5-8,13-14,17,34H,9-12,15-16H2,1-4H3,(H2,28,35)(H2,29,30,31);5-10,17-18,32H,11-14H2,1-4H3,(H2,27,33)(H2,28,29,30);3-4,9-11,31H,5-8,12-13H2,1-2H3,(H2,26,32)(H2,27,28,29);3-6,11-12,30H,7-10,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28)/t;17-,18+;;.

What are the key properties of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1845.71 g/mol, XLogP of 13.61, 29 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158548343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).