2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide

C14H18N4O — CID 112668170

IUPAC2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)cc1CNC(=O)Cc1ccccc1N
InChIInChI=1S/C14H18N4O/c1-10-12(9-18(2)17-10)8-16-14(19)7-11-5-3-4-6-13(11)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)
InChIKeyZIEGXMJIDNNWBY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.17
Rot. Bonds4

About 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide

2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 112668170) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID112668170
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)cc1CNC(=O)Cc1ccccc1N
InChIInChI=1S/C14H18N4O/c1-10-12(9-18(2)17-10)8-16-14(19)7-11-5-3-4-6-13(11)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)
InChIKeyZIEGXMJIDNNWBY-UHFFFAOYSA-N
XLogP1.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]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-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668706
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671950
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 115991487
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide (CID 112668170) is 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)cc1CNC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is ZIEGXMJIDNNWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-12(9-18(2)17-10)8-16-14(19)7-11-5-3-4-6-13(11)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 112668170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).