N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide

C31H35N5O3 — CID 10119039

About N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide (PubChem CID 10119039) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide.

Molecular Properties

• Compound Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide
• PubChem CID: 10119039
• Molecular Formula: C31H35N5O3
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.27
• IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide
• SMILES: CC(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1
• InChI: InChI=1S/C31H35N5O3/c1-21(2)23-12-14-24(15-13-23)36-25(20-28(35-36)27-8-5-6-18-33-27)7-3-4-9-30(38)34-29(31(32)39)19-22-10-16-26(37)17-11-22/h5-6,8,10-18,20-21,29,37H,3-4,7,9,19H2,1-2H3,(H2,32,39)(H,34,38)
• InChIKey: YWAZSNKBJMTASV-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 123.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide?

The IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide (CID 10119039) is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide.

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

The canonical SMILES for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide is CC(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.

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

The InChIKey is YWAZSNKBJMTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-21(2)23-12-14-24(15-13-23)36-25(20-28(35-36)27-8-5-6-18-33-27)7-3-4-9-30(38)34-29(31(32)39)19-22-10-16-26(37)17-11-22/h5-6,8,10-18,20-21,29,37H,3-4,7,9,19H2,1-2H3,(H2,32,39)(H,34,38).

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

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide has a molecular weight of 525.65 g/mol, XLogP of 4.69, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide is sourced from PubChem (CID 10119039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).