6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole

C13H13N5O2S — CID 156875619

IUPAC6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole
SMILESCn1ncc2ccc(S(=O)(=O)n3cc4c(n3)CNC4)cc21
InChIInChI=1S/C13H13N5O2S/c1-17-13-4-11(3-2-9(13)6-15-17)21(19,20)18-8-10-5-14-7-12(10)16-18/h2-4,6,8,14H,5,7H2,1H3
InChIKeySSAXSIXPJQYMKL-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.61
Rot. Bonds2

About 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole

6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole (PubChem CID 156875619) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole
PubChem CID156875619
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole
SMILESCn1ncc2ccc(S(=O)(=O)n3cc4c(n3)CNC4)cc21
InChIInChI=1S/C13H13N5O2S/c1-17-13-4-11(3-2-9(13)6-15-17)21(19,20)18-8-10-5-14-7-12(10)16-18/h2-4,6,8,14H,5,7H2,1H3
InChIKeySSAXSIXPJQYMKL-UHFFFAOYSA-N
XLogP0.61
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole?
The IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole (CID 156875619) is 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole.
What is the SMILES notation for 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole?
The canonical SMILES for 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole is Cn1ncc2ccc(S(=O)(=O)n3cc4c(n3)CNC4)cc21.
What is the InChIKey of 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole?
The InChIKey is SSAXSIXPJQYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-17-13-4-11(3-2-9(13)6-15-17)21(19,20)18-8-10-5-14-7-12(10)16-18/h2-4,6,8,14H,5,7H2,1H3.
What are the key properties of 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole?
6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole has a molecular weight of 303.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole is sourced from PubChem (CID 156875619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).