2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide

C16H21N3O — CID 45284669

IUPAC2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
SMILESCCn1nc(C)cc1NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C16H21N3O/c1-5-19-15(9-13(4)18-19)17-16(20)10-14-7-6-11(2)8-12(14)3/h6-9H,5,10H2,1-4H3,(H,17,20)
InChIKeyUZLHXQYLVNDITD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide

2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide (PubChem CID 45284669) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
PubChem CID45284669
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
SMILESCCn1nc(C)cc1NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C16H21N3O/c1-5-19-15(9-13(4)18-19)17-16(20)10-14-7-6-11(2)8-12(14)3/h6-9H,5,10H2,1-4H3,(H,17,20)
InChIKeyUZLHXQYLVNDITD-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644
2-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]benzoic acid;hydrochloride
CID 126966228
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
2-(2,4-dimethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100755607

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide (CID 45284669) is 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide is CCn1nc(C)cc1NC(=O)Cc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The InChIKey is UZLHXQYLVNDITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-19-15(9-13(4)18-19)17-16(20)10-14-7-6-11(2)8-12(14)3/h6-9H,5,10H2,1-4H3,(H,17,20).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 45284669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).