N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide

C13H16N4O — CID 60872327

IUPACN-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2c(C)cccc2N)c1
InChIInChI=1S/C13H16N4O/c1-9-6-15-17(7-9)8-12(18)16-13-10(2)4-3-5-11(13)14/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyZMYOFYFACRAKCK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.72
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide

N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 60872327) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID60872327
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2c(C)cccc2N)c1
InChIInChI=1S/C13H16N4O/c1-9-6-15-17(7-9)8-12(18)16-13-10(2)4-3-5-11(13)14/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyZMYOFYFACRAKCK-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.72
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

N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849766
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
2-(4-aminopyrazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 43445291
N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 43376201
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 52666291
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide (CID 60872327) is N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)Nc2c(C)cccc2N)c1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is ZMYOFYFACRAKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-15-17(7-9)8-12(18)16-13-10(2)4-3-5-11(13)14/h3-7H,8,14H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 60872327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).