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

C15H19N3OS — CID 91761102

IUPAC[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(CCSc1ccccc1)C2
InChIInChI=1S/C15H19N3OS/c19-12-13-10-14-11-17(6-7-18(14)16-13)8-9-20-15-4-2-1-3-5-15/h1-5,10,19H,6-9,11-12H2
InChIKeyXXNPACPRCQMIFL-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.98
Rot. Bonds5

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

[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91761102) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91761102
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(CCSc1ccccc1)C2
InChIInChI=1S/C15H19N3OS/c19-12-13-10-14-11-17(6-7-18(14)16-13)8-9-20-15-4-2-1-3-5-15/h1-5,10,19H,6-9,11-12H2
InChIKeyXXNPACPRCQMIFL-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91761102) is [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(CCSc1ccccc1)C2.
What is the InChIKey of [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is XXNPACPRCQMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-12-13-10-14-11-17(6-7-18(14)16-13)8-9-20-15-4-2-1-3-5-15/h1-5,10,19H,6-9,11-12H2.
What are the key properties of [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 289.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91761102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).