N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide

C20H22N4O — CID 55897440

IUPACN-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15(2)16-8-10-17(11-9-16)23-20(25)14-21-18-6-3-4-7-19(18)24-13-5-12-22-24/h3-13,15,21H,14H2,1-2H3,(H,23,25)
InChIKeyGSOOAYJQCDPYIM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.05
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide

N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide (PubChem CID 55897440) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
PubChem CID55897440
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15(2)16-8-10-17(11-9-16)23-20(25)14-21-18-6-3-4-7-19(18)24-13-5-12-22-24/h3-13,15,21H,14H2,1-2H3,(H,23,25)
InChIKeyGSOOAYJQCDPYIM-UHFFFAOYSA-N
XLogP4.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)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

4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55728999
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
CID 55919142
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
N-(2-acetylphenyl)-2-(5-chloro-2-pyrazol-1-ylanilino)acetamide
CID 55919271
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
2-(2-methoxyethylamino)-N-(2-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119400016
2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22304436
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide (CID 55897440) is N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide is CC(C)c1ccc(NC(=O)CNc2ccccc2-n2cccn2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
The InChIKey is GSOOAYJQCDPYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(2)16-8-10-17(11-9-16)23-20(25)14-21-18-6-3-4-7-19(18)24-13-5-12-22-24/h3-13,15,21H,14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide is sourced from PubChem (CID 55897440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).