2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide

C23H26N4O2 — CID 167878489

IUPAC2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1
InChIInChI=1S/C23H26N4O2/c1-15(2)23-21(14-24-27(23)20-10-8-16(3)9-11-20)26-22(29)13-18-6-5-7-19(12-18)25-17(4)28/h5-12,14-15H,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyKWXVOSHMSOLBFB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.44
Rot. Bonds6

About 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide

2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide (PubChem CID 167878489) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide
PubChem CID167878489
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1
InChIInChI=1S/C23H26N4O2/c1-15(2)23-21(14-24-27(23)20-10-8-16(3)9-11-20)26-22(29)13-18-6-5-7-19(12-18)25-17(4)28/h5-12,14-15H,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyKWXVOSHMSOLBFB-UHFFFAOYSA-N
XLogP4.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-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-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55901328
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068
N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 56509941
2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122091322
N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46580476
N-[3-(tert-butylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52577954
N-(3-acetamidophenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883077
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653
1-(4-fluorophenyl)-5-propan-2-yl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrazole-4-carboxamide
CID 55953273
(2S)-2-methoxy-N-[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]propanamide
CID 129369597
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide (CID 167878489) is 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide is CC(=O)Nc1cccc(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1.
What is the InChIKey of 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide?
The InChIKey is KWXVOSHMSOLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)23-21(14-24-27(23)20-10-8-16(3)9-11-20)26-22(29)13-18-6-5-7-19(12-18)25-17(4)28/h5-12,14-15H,13H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide?
2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide is sourced from PubChem (CID 167878489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).