2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide

C15H20N4O — CID 80556949

IUPAC2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCn1cccn1)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,12-4-6-13(16)7-5-12)14(20)17-9-11-19-10-3-8-18-19/h3-8,10H,9,11,16H2,1-2H3,(H,17,20)
InChIKeyWFLHLJBMVBPLRY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds5

About 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide

2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 80556949) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID80556949
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCn1cccn1)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,12-4-6-13(16)7-5-12)14(20)17-9-11-19-10-3-8-18-19/h3-8,10H,9,11,16H2,1-2H3,(H,17,20)
InChIKeyWFLHLJBMVBPLRY-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-amino-2-cyclopropyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 61461071
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
2-hydroxy-2,2-diphenyl-N-(3-pyrazol-1-ylpropyl)acetamide
CID 110887930
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide
CID 106591217
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 61459996
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide (CID 80556949) is 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide is CC(C)(C(=O)NCCn1cccn1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is WFLHLJBMVBPLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,12-4-6-13(16)7-5-12)14(20)17-9-11-19-10-3-8-18-19/h3-8,10H,9,11,16H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide?
2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 80556949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).