N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide

C127H140N20O12 — CID 160720264

About N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide (PubChem CID 160720264) has the molecular formula C127H140N20O12 and a molecular weight of 2138.64 g/mol. Its IUPAC name is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide.

Molecular Properties

• Compound Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
• PubChem CID: 160720264
• Molecular Formula: C127H140N20O12
• Molecular Weight: 2138.64 g/mol
• Exact Mass: 2137.10
• IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
• SMILES: CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(CCCCC(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2-c2cccnc2)cc1.CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CCCCn1nc(-c2cc3ccccc3cn2)cc1-c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1
• InChI: InChI=1S/C32H31N5O3.2C32H37N5O3.C31H35N5O3/c1-2-3-16-37-30(19-28(36-37)27-18-24-6-4-5-7-25(24)20-34-27)22-10-12-23(13-11-22)32(40)35-29(31(33)39)17-21-8-14-26(38)15-9-21;1-32(2,3)23-13-15-24(16-14-23)37-25(21-28(36-37)27-9-6-7-19-34-27)8-4-5-10-30(39)35-29(31(33)40)20-22-11-17-26(38)18-12-22;1-32(2,3)24-12-14-26(15-13-24)37-29(23-7-6-18-34-21-23)20-25(36-37)8-4-5-9-30(39)35-28(31(33)40)19-22-10-16-27(38)17-11-22;1-21(2)23-11-13-25(14-12-23)36-26(19-28(35-36)24-6-5-17-33-20-24)7-3-4-8-30(38)34-29(31(32)39)18-22-9-15-27(37)16-10-22/h4-15,18-20,29,38H,2-3,16-17H2,1H3,(H2,33,39)(H,35,40);6-7,9,11-19,21,29,38H,4-5,8,10,20H2,1-3H3,(H2,33,40)(H,35,39);6-7,10-18,20-21,28,38H,4-5,8-9,19H2,1-3H3,(H2,33,40)(H,35,39);5-6,9-17,19-21,29,37H,3-4,7-8,18H2,1-2H3,(H2,32,39)(H,34,38)
• InChIKey: RSZXBOOTFDTKGB-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 492.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 44
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.64
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?

The IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide (CID 160720264) is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide.

What is the SMILES notation for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?

The canonical SMILES for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide is CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(CCCCC(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2-c2cccnc2)cc1.CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CCCCn1nc(-c2cc3ccccc3cn2)cc1-c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.

What is the InChIKey of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?

The InChIKey is RSZXBOOTFDTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O3.2C32H37N5O3.C31H35N5O3/c1-2-3-16-37-30(19-28(36-37)27-18-24-6-4-5-7-25(24)20-34-27)22-10-12-23(13-11-22)32(40)35-29(31(33)39)17-21-8-14-26(38)15-9-21;1-32(2,3)23-13-15-24(16-14-23)37-25(21-28(36-37)27-9-6-7-19-34-27)8-4-5-10-30(39)35-29(31(33)40)20-22-11-17-26(38)18-12-22;1-32(2,3)24-12-14-26(15-13-24)37-29(23-7-6-18-34-21-23)20-25(36-37)8-4-5-9-30(39)35-28(31(33)40)19-22-10-16-27(38)17-11-22;1-21(2)23-11-13-25(14-12-23)36-26(19-28(35-36)24-6-5-17-33-20-24)7-3-4-8-30(38)34-29(31(32)39)18-22-9-15-27(37)16-10-22/h4-15,18-20,29,38H,2-3,16-17H2,1H3,(H2,33,39)(H,35,40);6-7,9,11-19,21,29,38H,4-5,8,10,20H2,1-3H3,(H2,33,40)(H,35,39);6-7,10-18,20-21,28,38H,4-5,8-9,19H2,1-3H3,(H2,33,40)(H,35,39);5-6,9-17,19-21,29,37H,3-4,7-8,18H2,1-2H3,(H2,32,39)(H,34,38).

What are the key properties of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide has a molecular weight of 2138.64 g/mol, XLogP of 19.51, 44 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide is sourced from PubChem (CID 160720264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).