2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H21N3O2 — CID 9137893

IUPAC2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H21N3O2/c1-10-6-7-14(8-11(10)2)21-9-15(20)17-16-12(3)18-19(5)13(16)4/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyYJZIWDIWWFGLMH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9137893) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9137893
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H21N3O2/c1-10-6-7-14(8-11(10)2)21-9-15(20)17-16-12(3)18-19(5)13(16)4/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyYJZIWDIWWFGLMH-UHFFFAOYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-(2-naphthyloxy)acetamide
CID 1300497
ethyl (4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506934
ethyl {3,5-dimethyl-4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}acetate
CID 1506939
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 16544092
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2-phenoxyacetamide
CID 1224540
ethyl (4-{[(4-methoxyphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506940
2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 6457385
2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7998841
ethyl (4-{[(3,4-dimethylphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507425
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139544

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9137893) is 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(OCC(=O)Nc2c(C)nn(C)c2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is YJZIWDIWWFGLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-6-7-14(8-11(10)2)21-9-15(20)17-16-12(3)18-19(5)13(16)4/h6-8H,9H2,1-5H3,(H,17,20).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9137893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).