5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C109H135ClN22O9 — CID 158807714

About 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 158807714) has the molecular formula C109H135ClN22O9 and a molecular weight of 1932.88 g/mol. Its IUPAC name is 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 158807714
• Molecular Formula: C109H135ClN22O9
• Molecular Weight: 1932.88 g/mol
• Exact Mass: 1931.05
• IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)ccc1N1CCCCC1.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)ccc1N1CCN(C)CC1
• InChI: InChI=1S/C31H36N6O2.C26H32ClN5O3.C26H34N6O2.C26H33N5O2/c1-21-16-25(17-22(2)29(21)38)19-33-31-28(30(32)39)27(34-35-31)18-23-8-10-26(11-9-23)37-14-12-36(13-15-37)20-24-6-4-3-5-7-24;1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32;1-16-11-19(5-6-22(16)32-9-7-31(4)8-10-32)14-21-23(25(27)34)26(30-29-21)28-15-20-12-17(2)24(33)18(3)13-20;1-16-11-19(7-8-22(16)31-9-5-4-6-10-31)14-21-23(25(27)33)26(30-29-21)28-15-20-12-17(2)24(32)18(3)13-20/h3-11,16-17,38H,12-15,18-20H2,1-2H3,(H2,32,39)(H2,33,34,35);5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31);5-6,11-13,33H,7-10,14-15H2,1-4H3,(H2,27,34)(H2,28,29,30);7-8,11-13,32H,4-6,9-10,14-15H2,1-3H3,(H2,27,33)(H2,28,29,30)/t;16-,17+
• InChIKey: IUHHYMULQBHYJC-SLEPORRNSA-N
• XLogP: 16.08
• TPSA: 444.79 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1932.88
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	23

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-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 158807714) is 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

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

The canonical SMILES for 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)ccc1N1CCCCC1.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)ccc1N1CCN(C)CC1.

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

The InChIKey is IUHHYMULQBHYJC-SLEPORRNSA-N. The full InChI is InChI=1S/C31H36N6O2.C26H32ClN5O3.C26H34N6O2.C26H33N5O2/c1-21-16-25(17-22(2)29(21)38)19-33-31-28(30(32)39)27(34-35-31)18-23-8-10-26(11-9-23)37-14-12-36(13-15-37)20-24-6-4-3-5-7-24;1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32;1-16-11-19(5-6-22(16)32-9-7-31(4)8-10-32)14-21-23(25(27)34)26(30-29-21)28-15-20-12-17(2)24(33)18(3)13-20;1-16-11-19(7-8-22(16)31-9-5-4-6-10-31)14-21-23(25(27)33)26(30-29-21)28-15-20-12-17(2)24(32)18(3)13-20/h3-11,16-17,38H,12-15,18-20H2,1-2H3,(H2,32,39)(H2,33,34,35);5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31);5-6,11-13,33H,7-10,14-15H2,1-4H3,(H2,27,34)(H2,28,29,30);7-8,11-13,32H,4-6,9-10,14-15H2,1-3H3,(H2,27,33)(H2,28,29,30)/t;16-,17+;;.

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

5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1932.88 g/mol, XLogP of 16.08, 30 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-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-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158807714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).