ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate

C12H14N4O6S — CID 46510748

IUPACethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C12H14N4O6S/c1-3-21-12(18)9-6-13-15-11(9)23(19,20)16-14-10(17)8-4-5-22-7(8)2/h4-6,16H,3H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyLLGXQGLUNMQPTF-UHFFFAOYSA-N
MW342.33 g/mol
LogP0.11
Rot. Bonds6

About ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 46510748) has the molecular formula C12H14N4O6S and a molecular weight of 342.33 g/mol. Its IUPAC name is ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID46510748
Molecular FormulaC12H14N4O6S
Molecular Weight342.33 g/mol
Exact Mass342.06
IUPAC Nameethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C12H14N4O6S/c1-3-21-12(18)9-6-13-15-11(9)23(19,20)16-14-10(17)8-4-5-22-7(8)2/h4-6,16H,3H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyLLGXQGLUNMQPTF-UHFFFAOYSA-N
XLogP0.11
TPSA143.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 50.11
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 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
CID 8615778
ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713526
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060
2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
CID 8615831
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119981227

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate (CID 46510748) is ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)c1ccoc1C.
What is the InChIKey of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is LLGXQGLUNMQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O6S/c1-3-21-12(18)9-6-13-15-11(9)23(19,20)16-14-10(17)8-4-5-22-7(8)2/h4-6,16H,3H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 342.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 46510748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).