2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C7H10N4O4S — CID 172825130

IUPAC2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESNS(=O)(=O)c1cc2n(n1)CCN(C(=O)O)C2
InChIInChI=1S/C7H10N4O4S/c8-16(14,15)6-3-5-4-10(7(12)13)1-2-11(5)9-6/h3H,1-2,4H2,(H,12,13)(H2,8,14,15)
InChIKeyUTHQFLVDCCGQLM-UHFFFAOYSA-N
MW246.25 g/mol
LogP-0.98
Rot. Bonds1

About 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 172825130) has the molecular formula C7H10N4O4S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID172825130
Molecular FormulaC7H10N4O4S
Molecular Weight246.25 g/mol
Exact Mass246.04
IUPAC Name2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESNS(=O)(=O)c1cc2n(n1)CCN(C(=O)O)C2
InChIInChI=1S/C7H10N4O4S/c8-16(14,15)6-3-5-4-10(7(12)13)1-2-11(5)9-6/h3H,1-2,4H2,(H,12,13)(H2,8,14,15)
InChIKeyUTHQFLVDCCGQLM-UHFFFAOYSA-N
XLogP-0.98
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 172825130) is 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is NS(=O)(=O)c1cc2n(n1)CCN(C(=O)O)C2.
What is the InChIKey of 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is UTHQFLVDCCGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S/c8-16(14,15)6-3-5-4-10(7(12)13)1-2-11(5)9-6/h3H,1-2,4H2,(H,12,13)(H2,8,14,15).
What are the key properties of 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 246.25 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 172825130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).