2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide

C15H19N3O2 — CID 47025675

IUPAC2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-13-4-6-14(7-5-13)20-12-15(19)16-8-2-10-18-11-3-9-17-18/h3-7,9,11H,2,8,10,12H2,1H3,(H,16,19)
InChIKeyNTMVWBGNEAMNLR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds7

About 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide

2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 47025675) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID47025675
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-13-4-6-14(7-5-13)20-12-15(19)16-8-2-10-18-11-3-9-17-18/h3-7,9,11H,2,8,10,12H2,1H3,(H,16,19)
InChIKeyNTMVWBGNEAMNLR-UHFFFAOYSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.78
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

2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948558
2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 37393401
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 43067442
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide (CID 47025675) is 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide is Cc1ccc(OCC(=O)NCCCn2cccn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is NTMVWBGNEAMNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-13-4-6-14(7-5-13)20-12-15(19)16-8-2-10-18-11-3-9-17-18/h3-7,9,11H,2,8,10,12H2,1H3,(H,16,19).
What are the key properties of 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 47025675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).