ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate

C8H12N4O6S — CID 112672393

IUPACethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NOCC(N)=O
InChIInChI=1S/C8H12N4O6S/c1-2-17-8(14)5-3-10-11-7(5)19(15,16)12-18-4-6(9)13/h3,12H,2,4H2,1H3,(H2,9,13)(H,10,11)
InChIKeyZJDOCYGQQBRZLJ-UHFFFAOYSA-N
MW292.27 g/mol
LogP-1.72
Rot. Bonds7

About ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 112672393) has the molecular formula C8H12N4O6S and a molecular weight of 292.27 g/mol. Its IUPAC name is ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID112672393
Molecular FormulaC8H12N4O6S
Molecular Weight292.27 g/mol
Exact Mass292.05
IUPAC Nameethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NOCC(N)=O
InChIInChI=1S/C8H12N4O6S/c1-2-17-8(14)5-3-10-11-7(5)19(15,16)12-18-4-6(9)13/h3,12H,2,4H2,1H3,(H2,9,13)(H,10,11)
InChIKeyZJDOCYGQQBRZLJ-UHFFFAOYSA-N
XLogP-1.72
TPSA153.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119981227
ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60911937
ethyl 5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 63967060
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 115755167
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 112672393) is ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NOCC(N)=O.
What is the InChIKey of ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is ZJDOCYGQQBRZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O6S/c1-2-17-8(14)5-3-10-11-7(5)19(15,16)12-18-4-6(9)13/h3,12H,2,4H2,1H3,(H2,9,13)(H,10,11).
What are the key properties of ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 292.27 g/mol, XLogP of -1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 112672393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).