2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

C15H19N3O2 — CID 115594824

IUPAC2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2n[nH]c(C)c2C)cc1C
InChIInChI=1S/C15H19N3O2/c1-9-5-6-13(7-10(9)2)20-8-14(19)16-15-11(3)12(4)17-18-15/h5-7H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyUEYMKJZLFHJLLV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.66
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115594824) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID115594824
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2n[nH]c(C)c2C)cc1C
InChIInChI=1S/C15H19N3O2/c1-9-5-6-13(7-10(9)2)20-8-14(19)16-15-11(3)12(4)17-18-15/h5-7H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyUEYMKJZLFHJLLV-UHFFFAOYSA-N
XLogP2.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115610256
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104616438
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 115594830
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
CID 115610134
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
CID 9137896
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 115594824) is 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is Cc1ccc(OCC(=O)Nc2n[nH]c(C)c2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UEYMKJZLFHJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-5-6-13(7-10(9)2)20-8-14(19)16-15-11(3)12(4)17-18-15/h5-7H,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115594824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).