methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate

C6H8ClN3O4S — CID 10587002

IUPACmethyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(Cl)nn(C)c1S(N)(=O)=O
InChIInChI=1S/C6H8ClN3O4S/c1-10-5(15(8,12)13)3(4(7)9-10)6(11)14-2/h1-2H3,(H2,8,12,13)
InChIKeyPVZNZXMAJKZBCU-UHFFFAOYSA-N
MW253.67 g/mol
LogP-0.49
Rot. Bonds2

About methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate

methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate (PubChem CID 10587002) has the molecular formula C6H8ClN3O4S and a molecular weight of 253.67 g/mol. Its IUPAC name is methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate
PubChem CID10587002
Molecular FormulaC6H8ClN3O4S
Molecular Weight253.67 g/mol
Exact Mass252.99
IUPAC Namemethyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(Cl)nn(C)c1S(N)(=O)=O
InChIInChI=1S/C6H8ClN3O4S/c1-10-5(15(8,12)13)3(4(7)9-10)6(11)14-2/h1-2H3,(H2,8,12,13)
InChIKeyPVZNZXMAJKZBCU-UHFFFAOYSA-N
XLogP-0.49
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate?
The IUPAC name of methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate (CID 10587002) is methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate?
The canonical SMILES for methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate is COC(=O)c1c(Cl)nn(C)c1S(N)(=O)=O.
What is the InChIKey of methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate?
The InChIKey is PVZNZXMAJKZBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O4S/c1-10-5(15(8,12)13)3(4(7)9-10)6(11)14-2/h1-2H3,(H2,8,12,13).
What are the key properties of methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate?
methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate has a molecular weight of 253.67 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate is sourced from PubChem (CID 10587002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).