3-oxo-N-(1H-pyrazol-5-yl)nonanamide

C12H19N3O2 — CID 10130928

IUPAC3-oxo-N-(1H-pyrazol-5-yl)nonanamide
SMILESCCCCCCC(=O)CC(=O)Nc1ccn[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-3-4-5-6-10(16)9-12(17)14-11-7-8-13-15-11/h7-8H,2-6,9H2,1H3,(H2,13,14,15,17)
InChIKeyDDGCDMDTXGDNBF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.28
Rot. Bonds8

About 3-oxo-N-(1H-pyrazol-5-yl)nonanamide

3-oxo-N-(1H-pyrazol-5-yl)nonanamide (PubChem CID 10130928) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-oxo-N-(1H-pyrazol-5-yl)nonanamide.

Molecular Properties

Compound Name3-oxo-N-(1H-pyrazol-5-yl)nonanamide
PubChem CID10130928
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-oxo-N-(1H-pyrazol-5-yl)nonanamide
SMILESCCCCCCC(=O)CC(=O)Nc1ccn[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-3-4-5-6-10(16)9-12(17)14-11-7-8-13-15-11/h7-8H,2-6,9H2,1H3,(H2,13,14,15,17)
InChIKeyDDGCDMDTXGDNBF-UHFFFAOYSA-N
XLogP2.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-oxo-N-(1H-pyrazol-5-yl)nonanamide 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

3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 62834246
heptacosane-10,12-dione
CID 14235516
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
3-(tert-butylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 61394138
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
1,1-diethyl-3-(1H-pyrazol-5-yl)urea
CID 79161873
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393876
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
CID 61393398
5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
CID 56696523
5-(3-oxononanoylamino)furan-2-carboxylic acid
CID 23032339
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
CID 91313387

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1H-pyrazol-5-yl)nonanamide?
The IUPAC name of 3-oxo-N-(1H-pyrazol-5-yl)nonanamide (CID 10130928) is 3-oxo-N-(1H-pyrazol-5-yl)nonanamide.
What is the SMILES notation for 3-oxo-N-(1H-pyrazol-5-yl)nonanamide?
The canonical SMILES for 3-oxo-N-(1H-pyrazol-5-yl)nonanamide is CCCCCCC(=O)CC(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-oxo-N-(1H-pyrazol-5-yl)nonanamide?
The InChIKey is DDGCDMDTXGDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-4-5-6-10(16)9-12(17)14-11-7-8-13-15-11/h7-8H,2-6,9H2,1H3,(H2,13,14,15,17).
What are the key properties of 3-oxo-N-(1H-pyrazol-5-yl)nonanamide?
3-oxo-N-(1H-pyrazol-5-yl)nonanamide has a molecular weight of 237.30 g/mol, XLogP of 2.28, 8 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-5-yl)nonanamide is sourced from PubChem (CID 10130928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).