2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C11H12N4O3S — CID 156875863

IUPAC2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOc1ccc(S(=O)(=O)n2cc3c(n2)CNC3)nc1
InChIInChI=1S/C11H12N4O3S/c1-18-9-2-3-11(13-5-9)19(16,17)15-7-8-4-12-6-10(8)14-15/h2-3,5,7,12H,4,6H2,1H3
InChIKeyRRCNZSDYWOYVLN-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.13
Rot. Bonds3

About 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 156875863) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID156875863
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOc1ccc(S(=O)(=O)n2cc3c(n2)CNC3)nc1
InChIInChI=1S/C11H12N4O3S/c1-18-9-2-3-11(13-5-9)19(16,17)15-7-8-4-12-6-10(8)14-15/h2-3,5,7,12H,4,6H2,1H3
InChIKeyRRCNZSDYWOYVLN-UHFFFAOYSA-N
XLogP0.13
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 156875863) is 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is COc1ccc(S(=O)(=O)n2cc3c(n2)CNC3)nc1.
What is the InChIKey of 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is RRCNZSDYWOYVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-18-9-2-3-11(13-5-9)19(16,17)15-7-8-4-12-6-10(8)14-15/h2-3,5,7,12H,4,6H2,1H3.
What are the key properties of 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 280.31 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 156875863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).