N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide

C11H19N3O2 — CID 19537426

IUPACN-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1nccc1C
InChIInChI=1S/C11H19N3O2/c1-9-5-7-13-14(9)10(2)11(15)12-6-4-8-16-3/h5,7,10H,4,6,8H2,1-3H3,(H,12,15)
InChIKeyXZIWUKRNRYLDLM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds6

About N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide

N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19537426) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
PubChem CID19537426
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1nccc1C
InChIInChI=1S/C11H19N3O2/c1-9-5-7-13-14(9)10(2)11(15)12-6-4-8-16-3/h5,7,10H,4,6,8H2,1-3H3,(H,12,15)
InChIKeyXZIWUKRNRYLDLM-UHFFFAOYSA-N
XLogP0.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539270
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537379
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906
ethyl 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate
CID 103105166
2-(5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19537248
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19537438
2-[1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489815
N-(2,5-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537266

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide (CID 19537426) is N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide is COCCCNC(=O)C(C)n1nccc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is XZIWUKRNRYLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-5-7-13-14(9)10(2)11(15)12-6-4-8-16-3/h5,7,10H,4,6,8H2,1-3H3,(H,12,15).
What are the key properties of N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide?
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19537426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).