3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate

C9H9N4O4S- — CID 162457131

IUPAC3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate
SMILESCn1cc(-c2ccn(S(N)(=O)=O)c2C(=O)[O-])cn1
InChIInChI=1S/C9H10N4O4S/c1-12-5-6(4-11-12)7-2-3-13(18(10,16)17)8(7)9(14)15/h2-5H,1H3,(H,14,15)(H2,10,16,17)/p-1
InChIKeySMCJQLLEWAEGOF-UHFFFAOYSA-M
MW269.26 g/mol
LogP-1.70
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate

3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate (PubChem CID 162457131) has the molecular formula C9H9N4O4S- and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate
PubChem CID162457131
Molecular FormulaC9H9N4O4S-
Molecular Weight269.26 g/mol
Exact Mass269.03
IUPAC Name3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate
SMILESCn1cc(-c2ccn(S(N)(=O)=O)c2C(=O)[O-])cn1
InChIInChI=1S/C9H10N4O4S/c1-12-5-6(4-11-12)7-2-3-13(18(10,16)17)8(7)9(14)15/h2-5H,1H3,(H,14,15)(H2,10,16,17)/p-1
InChIKeySMCJQLLEWAEGOF-UHFFFAOYSA-M
XLogP-1.70
TPSA123.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate (CID 162457131) is 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate is Cn1cc(-c2ccn(S(N)(=O)=O)c2C(=O)[O-])cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate?
The InChIKey is SMCJQLLEWAEGOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N4O4S/c1-12-5-6(4-11-12)7-2-3-13(18(10,16)17)8(7)9(14)15/h2-5H,1H3,(H,14,15)(H2,10,16,17)/p-1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate?
3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate has a molecular weight of 269.26 g/mol, XLogP of -1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 162457131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).