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

C16H21N3O2 — CID 115610256

IUPAC3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2n[nH]c(C)c2C)cc1C
InChIInChI=1S/C16H21N3O2/c1-10-5-6-14(9-11(10)2)21-8-7-15(20)17-16-12(3)13(4)18-19-16/h5-6,9H,7-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyBORNCNLZIDUEOY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.05
Rot. Bonds5

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

3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 115610256) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
PubChem CID115610256
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2n[nH]c(C)c2C)cc1C
InChIInChI=1S/C16H21N3O2/c1-10-5-6-14(9-11(10)2)21-8-7-15(20)17-16-12(3)13(4)18-19-16/h5-6,9H,7-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyBORNCNLZIDUEOY-UHFFFAOYSA-N
XLogP3.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide 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

2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
CID 115610134
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104616438
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(ethylamino)propanamide
CID 104618770
3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863563
3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 52583631
2-[3-(3,4-dimethylphenoxy)propanoylamino]propanoic acid
CID 43355237
3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138049489

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (CID 115610256) is 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is Cc1ccc(OCCC(=O)Nc2n[nH]c(C)c2C)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is BORNCNLZIDUEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-5-6-14(9-11(10)2)21-8-7-15(20)17-16-12(3)13(4)18-19-16/h5-6,9H,7-8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 115610256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).