N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide

C13H16N4O — CID 60872125

IUPACN-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2ccc(C)c(N)c2)c1
InChIInChI=1S/C13H16N4O/c1-9-6-15-17(7-9)8-13(18)16-11-4-3-10(2)12(14)5-11/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyKOAMMJKHRLBFPL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.72
Rot. Bonds3

About N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide

N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 60872125) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID60872125
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2ccc(C)c(N)c2)c1
InChIInChI=1S/C13H16N4O/c1-9-6-15-17(7-9)8-13(18)16-11-4-3-10(2)12(14)5-11/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyKOAMMJKHRLBFPL-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'}

Analyze N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872327
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780082
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide (CID 60872125) is N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)Nc2ccc(C)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is KOAMMJKHRLBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-15-17(7-9)8-13(18)16-11-4-3-10(2)12(14)5-11/h3-7H,8,14H2,1-2H3,(H,16,18).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide?
N-(3-amino-4-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-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 60872125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).