[3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C10H16IN3O3S — CID 170434633

IUPAC[3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCn2nc(CO)c(I)c2C1
InChIInChI=1S/C10H16IN3O3S/c1-18(16,17)5-4-13-2-3-14-9(6-13)10(11)8(7-15)12-14/h15H,2-7H2,1H3
InChIKeyBAFWAUXOWDUVLL-UHFFFAOYSA-N
MW385.23 g/mol
LogP-0.16
Rot. Bonds4

About [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 170434633) has the molecular formula C10H16IN3O3S and a molecular weight of 385.23 g/mol. Its IUPAC name is [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID170434633
Molecular FormulaC10H16IN3O3S
Molecular Weight385.23 g/mol
Exact Mass385.00
IUPAC Name[3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCn2nc(CO)c(I)c2C1
InChIInChI=1S/C10H16IN3O3S/c1-18(16,17)5-4-13-2-3-14-9(6-13)10(11)8(7-15)12-14/h15H,2-7H2,1H3
InChIKeyBAFWAUXOWDUVLL-UHFFFAOYSA-N
XLogP-0.16
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 170434633) is [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is CS(=O)(=O)CCN1CCn2nc(CO)c(I)c2C1.
What is the InChIKey of [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is BAFWAUXOWDUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O3S/c1-18(16,17)5-4-13-2-3-14-9(6-13)10(11)8(7-15)12-14/h15H,2-7H2,1H3.
What are the key properties of [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 385.23 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-iodo-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 170434633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).