N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

C15H20N4O2 — CID 120568365

IUPACN-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1ccc(N)cc1NC(=O)COc1c(C)nn(C)c1C
InChIInChI=1S/C15H20N4O2/c1-9-5-6-12(16)7-13(9)17-14(20)8-21-15-10(2)18-19(4)11(15)3/h5-7H,8,16H2,1-4H3,(H,17,20)
InChIKeyJRGFRDGTUQCICT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.95
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (PubChem CID 120568365) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
PubChem CID120568365
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1ccc(N)cc1NC(=O)COc1c(C)nn(C)c1C
InChIInChI=1S/C15H20N4O2/c1-9-5-6-12(16)7-13(9)17-14(20)8-21-15-10(2)18-19(4)11(15)3/h5-7H,8,16H2,1-4H3,(H,17,20)
InChIKeyJRGFRDGTUQCICT-UHFFFAOYSA-N
XLogP1.95
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29295025
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999928
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 166217948
2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 71971323
N-(5-amino-2-methylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 28537130
N-(5-amino-2-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 29036846

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (CID 120568365) is N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is Cc1ccc(N)cc1NC(=O)COc1c(C)nn(C)c1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The InChIKey is JRGFRDGTUQCICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-5-6-12(16)7-13(9)17-14(20)8-21-15-10(2)18-19(4)11(15)3/h5-7H,8,16H2,1-4H3,(H,17,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 120568365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).