N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide

C21H23N3O2 — CID 55377416

IUPACN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H23N3O2/c1-14-6-5-7-19(11-14)26-13-21(25)22-20-12-17(4)23-24(20)18-9-15(2)8-16(3)10-18/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyBNLAEHLNJRMHIW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.12
Rot. Bonds5

About N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 55377416) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide
PubChem CID55377416
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H23N3O2/c1-14-6-5-7-19(11-14)26-13-21(25)22-20-12-17(4)23-24(20)18-9-15(2)8-16(3)10-18/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyBNLAEHLNJRMHIW-UHFFFAOYSA-N
XLogP4.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide 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-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242
2-(3,5-difluorophenoxy)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 53384949
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 51123237
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540
2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 50802659
N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 135880890
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 136606198

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide (CID 55377416) is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is BNLAEHLNJRMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-5-7-19(11-14)26-13-21(25)22-20-12-17(4)23-24(20)18-9-15(2)8-16(3)10-18/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide?
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 55377416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).