5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole

C11H19N3O2S — CID 170244235

IUPAC5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nn(C)c2c1CN(S(=O)(=O)C(C)(C)C)C2
InChIInChI=1S/C11H19N3O2S/c1-8-9-6-14(7-10(9)13(5)12-8)17(15,16)11(2,3)4/h6-7H2,1-5H3
InChIKeyUNEOZGNZQARTAF-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.17
Rot. Bonds1

About 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole

5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 170244235) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID170244235
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nn(C)c2c1CN(S(=O)(=O)C(C)(C)C)C2
InChIInChI=1S/C11H19N3O2S/c1-8-9-6-14(7-10(9)13(5)12-8)17(15,16)11(2,3)4/h6-7H2,1-5H3
InChIKeyUNEOZGNZQARTAF-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 118491671
5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 170244407
3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine
CID 170244252
5-tert-butylsulfonyl-3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 118493359
1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine
CID 134071888
1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118489303
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane
CID 144954917
5-(3,5-difluorophenyl)sulfonyl-1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97410145
1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline
CID 22161707
(3,4-dichlorophenyl)-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
CID 84580795
(1-methyl-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-(4-methylpiperazin-1-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155823662

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 170244235) is 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole is Cc1nn(C)c2c1CN(S(=O)(=O)C(C)(C)C)C2.
What is the InChIKey of 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is UNEOZGNZQARTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-9-6-14(7-10(9)13(5)12-8)17(15,16)11(2,3)4/h6-7H2,1-5H3.
What are the key properties of 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 257.36 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 170244235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).