About 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]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide (PubChem CID 10165176) 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-3-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-3-ylpyrazol-5-yl]pentanamide |
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| PubChem CID | 10165176 |
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| Molecular Formula | C31H35N5O3 |
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| Molecular Weight | 525.65 g/mol |
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| Exact Mass | 525.27 |
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| IUPAC Name | N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide |
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| SMILES | CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1 |
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| InChI | InChI=1S/C31H35N5O3/c1-21(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/h5-6,9-17,19-21,29,37H,3-4,7-8,18H2,1-2H3,(H2,32,39)(H,34,38) |
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| InChIKey | AFGVZSAKOFJBRC-UHFFFAOYSA-N |
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| XLogP | 4.69 |
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| TPSA | 123.13 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| 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'} |
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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-3-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-3-ylpyrazol-5-yl]pentanamide (CID 10165176) is 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]-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]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide is CC(C)c1ccc(-n2nc(-c3cccnc3)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-3-ylpyrazol-5-yl]pentanamide?
The InChIKey is AFGVZSAKOFJBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-21(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/h5-6,9-17,19-21,29,37H,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]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-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 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-3-ylpyrazol-5-yl]pentanamide is sourced from PubChem (CID 10165176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).