N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide

C23H27N3O2 — CID 122565465

IUPACN-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(-c3c(COC)n[nH]c3C)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-5-17-6-8-18(9-7-17)14-26(3)23(27)20-12-10-19(11-13-20)22-16(2)24-25-21(22)15-28-4/h6-13H,5,14-15H2,1-4H3,(H,24,25)
InChIKeyLLEDMRFMXIHENF-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.37
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide

N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide (PubChem CID 122565465) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
PubChem CID122565465
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(-c3c(COC)n[nH]c3C)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-5-17-6-8-18(9-7-17)14-26(3)23(27)20-12-10-19(11-13-20)22-16(2)24-25-21(22)15-28-4/h6-13H,5,14-15H2,1-4H3,(H,24,25)
InChIKeyLLEDMRFMXIHENF-UHFFFAOYSA-N
XLogP4.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide 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-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
CID 122556031
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 38045289
3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 119074443
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide (CID 122565465) is N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2ccc(-c3c(COC)n[nH]c3C)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?
The InChIKey is LLEDMRFMXIHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-17-6-8-18(9-7-17)14-26(3)23(27)20-12-10-19(11-13-20)22-16(2)24-25-21(22)15-28-4/h6-13H,5,14-15H2,1-4H3,(H,24,25).
What are the key properties of N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?
N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide is sourced from PubChem (CID 122565465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).