2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium

C10H12F2N5O2S+ — CID 164931921

IUPAC2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium
SMILESO=S(=O)(c1cn(CC(F)F)cn1)n1cc2c(n1)C[NH2+]C2
InChIInChI=1S/C10H11F2N5O2S/c11-9(12)4-16-5-10(14-6-16)20(18,19)17-3-7-1-13-2-8(7)15-17/h3,5-6,9,13H,1-2,4H2/p+1
InChIKeyZXTQFVBFTXVLOV-UHFFFAOYSA-O
MW304.30 g/mol
LogP-0.84
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium

2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium (PubChem CID 164931921) has the molecular formula C10H12F2N5O2S+ and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium
PubChem CID164931921
Molecular FormulaC10H12F2N5O2S+
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium
SMILESO=S(=O)(c1cn(CC(F)F)cn1)n1cc2c(n1)C[NH2+]C2
InChIInChI=1S/C10H11F2N5O2S/c11-9(12)4-16-5-10(14-6-16)20(18,19)17-3-7-1-13-2-8(7)15-17/h3,5-6,9,13H,1-2,4H2/p+1
InChIKeyZXTQFVBFTXVLOV-UHFFFAOYSA-O
XLogP-0.84
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-imidazole-4-sulfonamide
CID 71808088
2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 164872102
Tert-butyl 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 164872310
2-[[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 164931915
N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 164931979
1-ethyl-N,2-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]imidazole-4-sulfonamide
CID 132356381
N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]imidazole-4-sulfonamide
CID 139012214
1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
CID 146089527
1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
CID 146126700
1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 154739176
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 167801592
N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide;1-(2,2-difluoroethyl)imidazole-4-sulfonyl chloride
CID 167649599

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium?
The IUPAC name of 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium (CID 164931921) is 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium is O=S(=O)(c1cn(CC(F)F)cn1)n1cc2c(n1)C[NH2+]C2.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium?
The InChIKey is ZXTQFVBFTXVLOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11F2N5O2S/c11-9(12)4-16-5-10(14-6-16)20(18,19)17-3-7-1-13-2-8(7)15-17/h3,5-6,9,13H,1-2,4H2/p+1.
What are the key properties of 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium?
2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium has a molecular weight of 304.30 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium is sourced from PubChem (CID 164931921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).