2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

C15H20N4O2 — CID 104616360

IUPAC2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(N)cc2)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyNYXIFAYAWINUNP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.31
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104616360) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
PubChem CID104616360
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(N)cc2)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyNYXIFAYAWINUNP-UHFFFAOYSA-N
XLogP2.31
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
CID 55976047
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55977589
2-(4-aminophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55124971
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104616438
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
CID 104621843
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (CID 104616360) is 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(N)cc2)n[nH]1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is NYXIFAYAWINUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104616360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).