ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate

C14H18N6O8S — CID 139620302

IUPACethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(OC)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H18N6O8S/c1-5-28-12(21)8-7-15-20(27-4)11(8)29(23,24)19-14(22)18-13-16-9(25-2)6-10(17-13)26-3/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)
InChIKeyFFWSBOHNMZQWEO-UHFFFAOYSA-N
MW430.40 g/mol
LogP-0.56
Rot. Bonds8

About ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate

ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate (PubChem CID 139620302) has the molecular formula C14H18N6O8S and a molecular weight of 430.40 g/mol. Its IUPAC name is ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate
PubChem CID139620302
Molecular FormulaC14H18N6O8S
Molecular Weight430.40 g/mol
Exact Mass430.09
IUPAC Nameethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(OC)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H18N6O8S/c1-5-28-12(21)8-7-15-20(27-4)11(8)29(23,24)19-14(22)18-13-16-9(25-2)6-10(17-13)26-3/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)
InChIKeyFFWSBOHNMZQWEO-UHFFFAOYSA-N
XLogP-0.56
TPSA172.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

ethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364395
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 14152126
ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 14577225
2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 89395751
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364392
ethyl 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 14721641
ethyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(pyridin-2-ylmethyl)pyrazole-4-carboxylate
CID 19839496
[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazol-4-yl] methyl carbonate
CID 23158784
ethyl 2-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrazol-4-yl]acetate
CID 57251106
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-methylpyrazol-3-yl)sulfonylurea;methyl 5-chlorosulfonyl-1-methylpyrazole-4-carboxylate
CID 160651983
1-(3-chloro-1,4-dimethylpyrazol-5-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 91269857
ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate
CID 19044098

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate (CID 139620302) is ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate is CCOC(=O)c1cnn(OC)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate?
The InChIKey is FFWSBOHNMZQWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O8S/c1-5-28-12(21)8-7-15-20(27-4)11(8)29(23,24)19-14(22)18-13-16-9(25-2)6-10(17-13)26-3/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22).
What are the key properties of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate?
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate has a molecular weight of 430.40 g/mol, XLogP of -0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate is sourced from PubChem (CID 139620302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).