methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate

C16H21N3O2 — CID 115990144

IUPACmethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
SMILESCCc1nn(C)cc1C(Nc1ccccc1C)C(=O)OC
InChIInChI=1S/C16H21N3O2/c1-5-13-12(10-19(3)18-13)15(16(20)21-4)17-14-9-7-6-8-11(14)2/h6-10,15,17H,5H2,1-4H3
InChIKeyKWRWYBFLFUVYJI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds5

About methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate

methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate (PubChem CID 115990144) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
PubChem CID115990144
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
SMILESCCc1nn(C)cc1C(Nc1ccccc1C)C(=O)OC
InChIInChI=1S/C16H21N3O2/c1-5-13-12(10-19(3)18-13)15(16(20)21-4)17-14-9-7-6-8-11(14)2/h6-10,15,17H,5H2,1-4H3
InChIKeyKWRWYBFLFUVYJI-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 112669631
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 115990096
methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
CID 60993730
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate?
The IUPAC name of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate (CID 115990144) is methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate.
What is the SMILES notation for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate?
The canonical SMILES for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate is CCc1nn(C)cc1C(Nc1ccccc1C)C(=O)OC.
What is the InChIKey of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate?
The InChIKey is KWRWYBFLFUVYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-13-12(10-19(3)18-13)15(16(20)21-4)17-14-9-7-6-8-11(14)2/h6-10,15,17H,5H2,1-4H3.
What are the key properties of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate?
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate has a molecular weight of 287.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate is sourced from PubChem (CID 115990144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).