N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

C21H24N4O — CID 17416541

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N4O/c1-16-8-7-9-17(2)21(16)23-20(26)15-24(3)13-18-12-22-25(14-18)19-10-5-4-6-11-19/h4-12,14H,13,15H2,1-3H3,(H,23,26)
InChIKeyWYXZMDCSHGHIJK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.56
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 17416541) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID17416541
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N4O/c1-16-8-7-9-17(2)21(16)23-20(26)15-24(3)13-18-12-22-25(14-18)19-10-5-4-6-11-19/h4-12,14H,13,15H2,1-3H3,(H,23,26)
InChIKeyWYXZMDCSHGHIJK-UHFFFAOYSA-N
XLogP3.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416540
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934667
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 78825870
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022186
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961
N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87014725
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196163
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 87014714
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-methyl-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 87014713

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (CID 17416541) is N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is WYXZMDCSHGHIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-8-7-9-17(2)21(16)23-20(26)15-24(3)13-18-12-22-25(14-18)19-10-5-4-6-11-19/h4-12,14H,13,15H2,1-3H3,(H,23,26).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 17416541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).