methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate

C7H11N3O4S — CID 13342775

IUPACmethyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S/c1-4-6(15(8,12)13)5(7(11)14-3)9-10(4)2/h1-3H3,(H2,8,12,13)
InChIKeyGZWWDXOLGQOTPW-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.84
Rot. Bonds2

About methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate

methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate (PubChem CID 13342775) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate
PubChem CID13342775
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Namemethyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S/c1-4-6(15(8,12)13)5(7(11)14-3)9-10(4)2/h1-3H3,(H2,8,12,13)
InChIKeyGZWWDXOLGQOTPW-UHFFFAOYSA-N
XLogP-0.84
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate (CID 13342775) is methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1S(N)(=O)=O.
What is the InChIKey of methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate?
The InChIKey is GZWWDXOLGQOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-4-6(15(8,12)13)5(7(11)14-3)9-10(4)2/h1-3H3,(H2,8,12,13).
What are the key properties of methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate?
methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate has a molecular weight of 233.25 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate is sourced from PubChem (CID 13342775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).