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

C11H14N4O2S — CID 91797866

IUPAC[5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1csc(N2CCn3nc(CO)cc3C2)n1
InChIInChI=1S/C11H14N4O2S/c16-5-8-3-10-4-14(1-2-15(10)13-8)11-12-9(6-17)7-18-11/h3,7,16-17H,1-2,4-6H2
InChIKeyLFPYSBWNQXYKRZ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.34
Rot. Bonds3

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

[5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91797866) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91797866
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name[5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1csc(N2CCn3nc(CO)cc3C2)n1
InChIInChI=1S/C11H14N4O2S/c16-5-8-3-10-4-14(1-2-15(10)13-8)11-12-9(6-17)7-18-11/h3,7,16-17H,1-2,4-6H2
InChIKeyLFPYSBWNQXYKRZ-UHFFFAOYSA-N
XLogP0.34
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91797866) is [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1csc(N2CCn3nc(CO)cc3C2)n1.
What is the InChIKey of [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is LFPYSBWNQXYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-5-8-3-10-4-14(1-2-15(10)13-8)11-12-9(6-17)7-18-11/h3,7,16-17H,1-2,4-6H2.
What are the key properties of [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 266.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91797866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).