ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C13H16N4O4S — CID 23055465

IUPACethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2cccc(C)n2)n[nH]c1C
InChIInChI=1S/C13H16N4O4S/c1-4-21-13(18)11-9(3)15-16-12(11)22(19,20)17-10-7-5-6-8(2)14-10/h5-7H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZUCHPRDTSOTTAN-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.40
Rot. Bonds5

About ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 23055465) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID23055465
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Nameethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2cccc(C)n2)n[nH]c1C
InChIInChI=1S/C13H16N4O4S/c1-4-21-13(18)11-9(3)15-16-12(11)22(19,20)17-10-7-5-6-8(2)14-10/h5-7H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZUCHPRDTSOTTAN-UHFFFAOYSA-N
XLogP1.40
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 23055465) is ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2cccc(C)n2)n[nH]c1C.
What is the InChIKey of ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is ZUCHPRDTSOTTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-4-21-13(18)11-9(3)15-16-12(11)22(19,20)17-10-7-5-6-8(2)14-10/h5-7H,4H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 23055465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).