5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid

C15H19N3O3S — CID 91953225

IUPAC5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)CC(CC(=O)NCCCn1cccn1)c1cccs1
InChIInChI=1S/C15H19N3O3S/c19-14(16-5-2-7-18-8-3-6-17-18)10-12(11-15(20)21)13-4-1-9-22-13/h1,3-4,6,8-9,12H,2,5,7,10-11H2,(H,16,19)(H,20,21)
InChIKeyGHQDZSUZQJVEFX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.10
Rot. Bonds9

About 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid

5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid (PubChem CID 91953225) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
PubChem CID91953225
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)CC(CC(=O)NCCCn1cccn1)c1cccs1
InChIInChI=1S/C15H19N3O3S/c19-14(16-5-2-7-18-8-3-6-17-18)10-12(11-15(20)21)13-4-1-9-22-13/h1,3-4,6,8-9,12H,2,5,7,10-11H2,(H,16,19)(H,20,21)
InChIKeyGHQDZSUZQJVEFX-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2-methylimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953270
5-[3-(benzimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953280
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
CID 95612062
5-(methylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
CID 82128267
5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid
CID 91953257
2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283765
(3S)-5-[2-(4-fluorophenoxy)ethylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354715
(3R)-5-[2-(4-fluorophenoxy)ethylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354716
(3R)-5-[(4-fluorophenyl)methylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 100816122
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid?
The IUPAC name of 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid (CID 91953225) is 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid?
The canonical SMILES for 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid is O=C(O)CC(CC(=O)NCCCn1cccn1)c1cccs1.
What is the InChIKey of 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid?
The InChIKey is GHQDZSUZQJVEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-14(16-5-2-7-18-8-3-6-17-18)10-12(11-15(20)21)13-4-1-9-22-13/h1,3-4,6,8-9,12H,2,5,7,10-11H2,(H,16,19)(H,20,21).
What are the key properties of 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid?
5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid has a molecular weight of 321.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 91953225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).