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

C31H35N5O3 — CID 22385851

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

N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide (PubChem CID 22385851) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide.

Molecular Properties

• Compound Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
• PubChem CID: 22385851
• Molecular Formula: C31H35N5O3
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.27
• IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
• SMILES: CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(=O)C(N)Cc2ccc(O)cc2)cc1
• InChI: InChI=1S/C31H35N5O3/c1-21(2)23-11-13-25(14-12-23)36-26(19-29(35-36)24-6-5-17-33-20-24)7-3-4-8-30(38)34-31(39)28(32)18-22-9-15-27(37)16-10-22/h5-6,9-17,19-21,28,37H,3-4,7-8,18,32H2,1-2H3,(H,34,38,39)
• InChIKey: YWBKOZLVOMXEAJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 123.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• 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	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide (CID 22385851) is N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide.

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

The canonical SMILES for N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide is CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(=O)C(N)Cc2ccc(O)cc2)cc1.

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

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

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

N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide has a molecular weight of 525.65 g/mol, XLogP of 4.69, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide is sourced from PubChem (CID 22385851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).