5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C6H7F2N3O2S — CID 131173305

IUPAC5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESO=S(=O)(C(F)F)N1Cc2cn[nH]c2C1
InChIInChI=1S/C6H7F2N3O2S/c7-6(8)14(12,13)11-2-4-1-9-10-5(4)3-11/h1,6H,2-3H2,(H,9,10)
InChIKeyCYJSGFFTLALBTD-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.28
Rot. Bonds2

About 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 131173305) has the molecular formula C6H7F2N3O2S and a molecular weight of 223.20 g/mol. Its IUPAC name is 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID131173305
Molecular FormulaC6H7F2N3O2S
Molecular Weight223.20 g/mol
Exact Mass223.02
IUPAC Name5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESO=S(=O)(C(F)F)N1Cc2cn[nH]c2C1
InChIInChI=1S/C6H7F2N3O2S/c7-6(8)14(12,13)11-2-4-1-9-10-5(4)3-11/h1,6H,2-3H2,(H,9,10)
InChIKeyCYJSGFFTLALBTD-UHFFFAOYSA-N
XLogP0.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane
CID 161037890
3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
CID 53185454
cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 130872132
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
CID 130641997
1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxylic acid
CID 177323711
3-chloro-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
CID 130722957
1-(difluoromethylsulfonyl)azepane
CID 58435955
trifluoromethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 153306399
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 136579462
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 131173305) is 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is O=S(=O)(C(F)F)N1Cc2cn[nH]c2C1.
What is the InChIKey of 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is CYJSGFFTLALBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2S/c7-6(8)14(12,13)11-2-4-1-9-10-5(4)3-11/h1,6H,2-3H2,(H,9,10).
What are the key properties of 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 223.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 131173305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).