3-oxo-N-(1H-pyrazol-4-yl)butanamide

C7H9N3O2 — CID 43540271

IUPAC3-oxo-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(=O)CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H9N3O2/c1-5(11)2-7(12)10-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,8,9)(H,10,12)
InChIKeyIKCOPRPARUMREO-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.33
Rot. Bonds3

About 3-oxo-N-(1H-pyrazol-4-yl)butanamide

3-oxo-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 43540271) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-oxo-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(1H-pyrazol-4-yl)butanamide
PubChem CID43540271
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-oxo-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(=O)CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H9N3O2/c1-5(11)2-7(12)10-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,8,9)(H,10,12)
InChIKeyIKCOPRPARUMREO-UHFFFAOYSA-N
XLogP0.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-oxo-N-(1H-pyrazol-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
CID 63822309
5-bromo-N-(1H-pyrazol-4-yl)pentanamide
CID 107908291
(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
CID 43430674
2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429565
N-(1H-pyrazol-4-yl)but-2-ynamide;hydrochloride
CID 155820287
3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide
CID 43540485
2-(1-hydroxycyclopentyl)-N-(1H-pyrazol-4-yl)acetamide
CID 111430521
2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid
CID 43540349
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 3-oxo-N-(1H-pyrazol-4-yl)butanamide (CID 43540271) is 3-oxo-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 3-oxo-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 3-oxo-N-(1H-pyrazol-4-yl)butanamide is CC(=O)CC(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-oxo-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is IKCOPRPARUMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(11)2-7(12)10-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,8,9)(H,10,12).
What are the key properties of 3-oxo-N-(1H-pyrazol-4-yl)butanamide?
3-oxo-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 167.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 43540271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).