ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate

C14H20N6O7S — CID 19044098

IUPACethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate
SMILESCCOC(=O)C1=CN(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)N(C)C1
InChIInChI=1S/C14H20N6O7S/c1-5-27-12(21)9-7-19(2)20(8-9)28(23,24)18-14(22)17-13-15-10(25-3)6-11(16-13)26-4/h6,8H,5,7H2,1-4H3,(H2,15,16,17,18,22)
InChIKeyVRQBWYWGPIEQAW-UHFFFAOYSA-N
MW416.42 g/mol
LogP-0.53
Rot. Bonds7

About ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate

ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate (PubChem CID 19044098) has the molecular formula C14H20N6O7S and a molecular weight of 416.42 g/mol. Its IUPAC name is ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate
PubChem CID19044098
Molecular FormulaC14H20N6O7S
Molecular Weight416.42 g/mol
Exact Mass416.11
IUPAC Nameethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate
SMILESCCOC(=O)C1=CN(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)N(C)C1
InChIInChI=1S/C14H20N6O7S/c1-5-27-12(21)9-7-19(2)20(8-9)28(23,24)18-14(22)17-13-15-10(25-3)6-11(16-13)26-4/h6,8H,5,7H2,1-4H3,(H2,15,16,17,18,22)
InChIKeyVRQBWYWGPIEQAW-UHFFFAOYSA-N
XLogP-0.53
TPSA152.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate 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 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate
CID 139620302
ethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364395
ethyl 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 14721641
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)sulfamoyl]urea
CID 21478088
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 14152126
2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 89395751
sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide
CID 155567264
ethyl 2-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrazol-4-yl]acetate
CID 57251106
ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-(fluoromethyl)benzoate
CID 54536768
ethyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(pyridin-2-ylmethyl)pyrazole-4-carboxylate
CID 19839496
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-methyl-1-oxidopyridin-1-ium-2-yl)sulfonylurea
CID 19866062

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate (CID 19044098) is ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate is CCOC(=O)C1=CN(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)N(C)C1.
What is the InChIKey of ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate?
The InChIKey is VRQBWYWGPIEQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O7S/c1-5-27-12(21)9-7-19(2)20(8-9)28(23,24)18-14(22)17-13-15-10(25-3)6-11(16-13)26-4/h6,8H,5,7H2,1-4H3,(H2,15,16,17,18,22).
What are the key properties of ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate?
ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate has a molecular weight of 416.42 g/mol, XLogP of -0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-methyl-3H-pyrazole-4-carboxylate is sourced from PubChem (CID 19044098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).