methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate

C10H18N4O5S — CID 115533331

IUPACmethyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H18N4O5S/c1-18-6-5-14(4-3-9(15)19-2)20(16,17)8-7-12-13-10(8)11/h7H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyGPXZHVSIZCUAKZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.81
Rot. Bonds8

About methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate (PubChem CID 115533331) has the molecular formula C10H18N4O5S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
PubChem CID115533331
Molecular FormulaC10H18N4O5S
Molecular Weight306.34 g/mol
Exact Mass306.10
IUPAC Namemethyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H18N4O5S/c1-18-6-5-14(4-3-9(15)19-2)20(16,17)8-7-12-13-10(8)11/h7H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyGPXZHVSIZCUAKZ-UHFFFAOYSA-N
XLogP-0.81
TPSA127.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate 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 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
CID 61110324
5-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 55000523
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533310
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
CID 78959599
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107551
methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate
CID 115533477
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate (CID 115533331) is methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is GPXZHVSIZCUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5S/c1-18-6-5-14(4-3-9(15)19-2)20(16,17)8-7-12-13-10(8)11/h7H,3-6H2,1-2H3,(H3,11,12,13).
What are the key properties of methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 306.34 g/mol, XLogP of -0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115533331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).