N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide

C24H23N5O2 — CID 166189086

IUPACN-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccccc1CCN(Cc1ncc[nH]1)C(=O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H23N5O2/c1-18-7-5-6-8-19(18)11-14-28(17-22-25-12-13-26-22)24(31)23(30)20-15-27-29(16-20)21-9-3-2-4-10-21/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,25,26)
InChIKeyNCCWIBNYESVMKX-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.36
Rot. Bonds8

About N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide

N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 166189086) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID166189086
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccccc1CCN(Cc1ncc[nH]1)C(=O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H23N5O2/c1-18-7-5-6-8-19(18)11-14-28(17-22-25-12-13-26-22)24(31)23(30)20-15-27-29(16-20)21-9-3-2-4-10-21/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,25,26)
InChIKeyNCCWIBNYESVMKX-UHFFFAOYSA-N
XLogP3.36
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-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-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 46985889
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
N-(2-chloroethyl)-1-phenyl-N-propylpyrazole-4-carboxamide
CID 63393118
3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 135107200
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide (CID 166189086) is N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide is Cc1ccccc1CCN(Cc1ncc[nH]1)C(=O)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is NCCWIBNYESVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-18-7-5-6-8-19(18)11-14-28(17-22-25-12-13-26-22)24(31)23(30)20-15-27-29(16-20)21-9-3-2-4-10-21/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,25,26).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide?
N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 413.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 166189086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).