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

C7H11N3O3S — CID 174771112

IUPAC(1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol
SMILESCS(=O)(=O)n1ncc2c1CNC2CO
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
InChIKeyLRIUYCGZVXEEBE-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.17
Rot. Bonds2

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

(1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol (PubChem CID 174771112) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol
PubChem CID174771112
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name(1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol
SMILESCS(=O)(=O)n1ncc2c1CNC2CO
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
InChIKeyLRIUYCGZVXEEBE-UHFFFAOYSA-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 (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol?
The IUPAC name of (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol (CID 174771112) is (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol.
What is the SMILES notation for (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol?
The canonical SMILES for (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol is CS(=O)(=O)n1ncc2c1CNC2CO.
What is the InChIKey of (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol?
The InChIKey is LRIUYCGZVXEEBE-UHFFFAOYSA-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.
What are the key properties of (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol?
(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 (1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol is sourced from PubChem (CID 174771112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).