3-oxo-N-pyrazol-1-ylpentanamide

C8H11N3O2 — CID 59660026

IUPAC3-oxo-N-pyrazol-1-ylpentanamide
SMILESCCC(=O)CC(=O)Nn1cccn1
InChIInChI=1S/C8H11N3O2/c1-2-7(12)6-8(13)10-11-5-3-4-9-11/h3-5H,2,6H2,1H3,(H,10,13)
InChIKeyDWRSHSHGIDWTDO-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.32
Rot. Bonds4

About 3-oxo-N-pyrazol-1-ylpentanamide

3-oxo-N-pyrazol-1-ylpentanamide (PubChem CID 59660026) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-oxo-N-pyrazol-1-ylpentanamide.

Molecular Properties

Compound Name3-oxo-N-pyrazol-1-ylpentanamide
PubChem CID59660026
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-oxo-N-pyrazol-1-ylpentanamide
SMILESCCC(=O)CC(=O)Nn1cccn1
InChIInChI=1S/C8H11N3O2/c1-2-7(12)6-8(13)10-11-5-3-4-9-11/h3-5H,2,6H2,1H3,(H,10,13)
InChIKeyDWRSHSHGIDWTDO-UHFFFAOYSA-N
XLogP0.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyrazol-1-ylpentanamide?
The IUPAC name of 3-oxo-N-pyrazol-1-ylpentanamide (CID 59660026) is 3-oxo-N-pyrazol-1-ylpentanamide.
What is the SMILES notation for 3-oxo-N-pyrazol-1-ylpentanamide?
The canonical SMILES for 3-oxo-N-pyrazol-1-ylpentanamide is CCC(=O)CC(=O)Nn1cccn1.
What is the InChIKey of 3-oxo-N-pyrazol-1-ylpentanamide?
The InChIKey is DWRSHSHGIDWTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-7(12)6-8(13)10-11-5-3-4-9-11/h3-5H,2,6H2,1H3,(H,10,13).
What are the key properties of 3-oxo-N-pyrazol-1-ylpentanamide?
3-oxo-N-pyrazol-1-ylpentanamide has a molecular weight of 181.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyrazol-1-ylpentanamide is sourced from PubChem (CID 59660026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).