2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide

C15H20N4O2 — CID 115988923

IUPAC2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H20N4O2/c1-3-14-11(9-19(2)18-14)8-17-15(20)10-21-13-6-4-12(16)5-7-13/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20)
InChIKeyIKVHVKOMLKKUDI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.26
Rot. Bonds6

About 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide

2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 115988923) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID115988923
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H20N4O2/c1-3-14-11(9-19(2)18-14)8-17-15(20)10-21-13-6-4-12(16)5-7-13/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20)
InChIKeyIKVHVKOMLKKUDI-UHFFFAOYSA-N
XLogP1.26
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669329
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107461981
2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669267
tert-butyl 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-oxobutanoate
CID 106707672

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (CID 115988923) is 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is CCc1nn(C)cc1CNC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is IKVHVKOMLKKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-14-11(9-19(2)18-14)8-17-15(20)10-21-13-6-4-12(16)5-7-13/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 115988923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).