ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate

C16H21N3O2 — CID 83091037

IUPACethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
SMILESCCOC(=O)C(Nc1ccccc1C)c1cn(C)nc1C
InChIInChI=1S/C16H21N3O2/c1-5-21-16(20)15(13-10-19(4)18-12(13)3)17-14-9-7-6-8-11(14)2/h6-10,15,17H,5H2,1-4H3
InChIKeyVKPDMDAGXBZNKN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.75
Rot. Bonds5

About ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate

ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate (PubChem CID 83091037) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
PubChem CID83091037
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
SMILESCCOC(=O)C(Nc1ccccc1C)c1cn(C)nc1C
InChIInChI=1S/C16H21N3O2/c1-5-21-16(20)15(13-10-19(4)18-12(13)3)17-14-9-7-6-8-11(14)2/h6-10,15,17H,5H2,1-4H3
InChIKeyVKPDMDAGXBZNKN-UHFFFAOYSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate 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

methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate
CID 83091200
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
ethyl 2-(2-methylanilino)pent-4-enoate
CID 132607090
ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83093864
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol
CID 83092233
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate?
The IUPAC name of ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate (CID 83091037) is ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate?
The canonical SMILES for ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate is CCOC(=O)C(Nc1ccccc1C)c1cn(C)nc1C.
What is the InChIKey of ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate?
The InChIKey is VKPDMDAGXBZNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-21-16(20)15(13-10-19(4)18-12(13)3)17-14-9-7-6-8-11(14)2/h6-10,15,17H,5H2,1-4H3.
What are the key properties of ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate?
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate has a molecular weight of 287.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate is sourced from PubChem (CID 83091037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).