methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate

C9H15N3O4S — CID 47268116

IUPACmethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O4S/c1-3-4-12(7-9(13)16-2)17(14,15)8-5-10-11-6-8/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyGWCCHAMIAOZERP-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.02
Rot. Bonds6

About methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate

methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate (PubChem CID 47268116) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
PubChem CID47268116
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O4S/c1-3-4-12(7-9(13)16-2)17(14,15)8-5-10-11-6-8/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyGWCCHAMIAOZERP-UHFFFAOYSA-N
XLogP-0.02
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)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

ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 61008222
N-butyl-N-(2-chloroethyl)-1H-pyrazole-4-sulfonamide
CID 63396636
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 54877062
N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
CID 60958525
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
CID 51103264
methyl 2-[(3-nitrophenyl)sulfonyl-propylamino]acetate
CID 61072138
methyl 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-propylamino]acetate
CID 115421337
methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
CID 104710365
methyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-propylamino]acetate
CID 107326909
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
CID 106267875
4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 54997976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
The IUPAC name of methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate (CID 47268116) is methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate is CCCN(CC(=O)OC)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
The InChIKey is GWCCHAMIAOZERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-4-12(7-9(13)16-2)17(14,15)8-5-10-11-6-8/h5-6H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate has a molecular weight of 261.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate is sourced from PubChem (CID 47268116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).