3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid

C9H13N3O3 — CID 104621777

IUPAC3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
SMILESCCCc1cc(NC(=O)CC(=O)O)n[nH]1
InChIInChI=1S/C9H13N3O3/c1-2-3-6-4-7(12-11-6)10-8(13)5-9(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyCHYSVAWHUSXUBT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.78
Rot. Bonds5

About 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid

3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid (PubChem CID 104621777) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
PubChem CID104621777
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
SMILESCCCc1cc(NC(=O)CC(=O)O)n[nH]1
InChIInChI=1S/C9H13N3O3/c1-2-3-6-4-7(12-11-6)10-8(13)5-9(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyCHYSVAWHUSXUBT-UHFFFAOYSA-N
XLogP0.78
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 104617311
2-(cyclopentylamino)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433550
3-amino-3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104618213

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid?
The IUPAC name of 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid (CID 104621777) is 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid?
The canonical SMILES for 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid is CCCc1cc(NC(=O)CC(=O)O)n[nH]1.
What is the InChIKey of 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid?
The InChIKey is CHYSVAWHUSXUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-6-4-7(12-11-6)10-8(13)5-9(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid?
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid is sourced from PubChem (CID 104621777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).