[(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol

C7H11N3O3S — CID 141411253

IUPAC[(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol
SMILESCS(=O)(=O)n1ncc2c1CN[C@@H]2CO
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)10-7-3-8-6(4-11)5(7)2-9-10/h2,6,8,11H,3-4H2,1H3/t6-/m1/s1
InChIKeyLRIUYCGZVXEEBE-ZCFIWIBFSA-N
MW217.25 g/mol
LogP-1.17
Rot. Bonds2

About [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol

[(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol (PubChem CID 141411253) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol
PubChem CID141411253
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name[(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol
SMILESCS(=O)(=O)n1ncc2c1CN[C@@H]2CO
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)10-7-3-8-6(4-11)5(7)2-9-10/h2,6,8,11H,3-4H2,1H3/t6-/m1/s1
InChIKeyLRIUYCGZVXEEBE-ZCFIWIBFSA-N
XLogP-1.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol?
The IUPAC name of [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol (CID 141411253) is [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol.
What is the SMILES notation for [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol?
The canonical SMILES for [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol is CS(=O)(=O)n1ncc2c1CN[C@@H]2CO.
What is the InChIKey of [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol?
The InChIKey is LRIUYCGZVXEEBE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14(12,13)10-7-3-8-6(4-11)5(7)2-9-10/h2,6,8,11H,3-4H2,1H3/t6-/m1/s1.
What are the key properties of [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol?
[(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol has a molecular weight of 217.25 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol is sourced from PubChem (CID 141411253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).