2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

C13H16N4O2 — CID 104616438

IUPAC2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)COc2ccc(N)cc2)c1C
InChIInChI=1S/C13H16N4O2/c1-8-9(2)16-17-13(8)15-12(18)7-19-11-5-3-10(14)4-6-11/h3-6H,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyWDYJEIADFAXZOC-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.63
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104616438) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID104616438
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)COc2ccc(N)cc2)c1C
InChIInChI=1S/C13H16N4O2/c1-8-9(2)16-17-13(8)15-12(18)7-19-11-5-3-10(14)4-6-11/h3-6H,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyWDYJEIADFAXZOC-UHFFFAOYSA-N
XLogP1.63
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.63
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

2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824
2-(4-aminophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55124971
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 115594830
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115610256
4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethoxy]aniline
CID 82474929
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 163863888
N-(5-amino-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 82330844
2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 51102446
2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618675

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 104616438) is 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is Cc1[nH]nc(NC(=O)COc2ccc(N)cc2)c1C.
What is the InChIKey of 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is WDYJEIADFAXZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-9(2)16-17-13(8)15-12(18)7-19-11-5-3-10(14)4-6-11/h3-6H,7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.63, 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-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104616438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).