methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate

C13H15N3O3S — CID 86818674

IUPACmethyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccsc1)c1ccn(C)n1
InChIInChI=1S/C13H15N3O3S/c1-16-5-3-10(15-16)12(13(18)19-2)14-11(17)7-9-4-6-20-8-9/h3-6,8,12H,7H2,1-2H3,(H,14,17)
InChIKeyZRXIPFFEIPUFOA-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate

methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate (PubChem CID 86818674) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate
PubChem CID86818674
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Namemethyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccsc1)c1ccn(C)n1
InChIInChI=1S/C13H15N3O3S/c1-16-5-3-10(15-16)12(13(18)19-2)14-11(17)7-9-4-6-20-8-9/h3-6,8,12H,7H2,1-2H3,(H,14,17)
InChIKeyZRXIPFFEIPUFOA-UHFFFAOYSA-N
XLogP1.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]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

[1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105228749
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-3-ylacetamide
CID 125446493
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
methyl (2S,3R)-2-methyl-3-[(2-thiophen-3-ylacetyl)sulfamoyl]butanoate
CID 124841964
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
CID 62652889
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate?
The IUPAC name of methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate (CID 86818674) is methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate?
The canonical SMILES for methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate is COC(=O)C(NC(=O)Cc1ccsc1)c1ccn(C)n1.
What is the InChIKey of methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate?
The InChIKey is ZRXIPFFEIPUFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-16-5-3-10(15-16)12(13(18)19-2)14-11(17)7-9-4-6-20-8-9/h3-6,8,12H,7H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate?
methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate has a molecular weight of 293.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylpyrazol-3-yl)-2-[(2-thiophen-3-ylacetyl)amino]acetate is sourced from PubChem (CID 86818674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).