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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Related Compounds

3-hydroxy-1-[2-(1-methylindazol-6-yl)sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-phenylpropan-1-one
CID 166772726
1-methylindazole-6-sulfonic acid
CID 22889763
1-methylindazole-6-sulfonyl fluoride
CID 156875828
2-[4-(difluoromethoxy)phenyl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 156875780
2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 164931896
2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 156875863
2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2,2,2-trifluoroacetaldehyde
CID 157230540
N,1-dimethylindazol-6-amine
CID 23544368
6-butan-2-yl-1-methylindazole
CID 118069514
1-methyl-6-pyrrolidin-1-ylindazole
CID 123532355
2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 142527806
2-(1-methylindazol-6-yl)propan-1-ol
CID 117281911

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).