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

C11H14N4OS — CID 91767370

IUPAC[5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(Cc1cscn1)C2
InChIInChI=1S/C11H14N4OS/c16-6-9-3-11-5-14(1-2-15(11)13-9)4-10-7-17-8-12-10/h3,7-8,16H,1-2,4-6H2
InChIKeyPXOWIQXWWZNTBA-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.85
Rot. Bonds3

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

[5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91767370) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91767370
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name[5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(Cc1cscn1)C2
InChIInChI=1S/C11H14N4OS/c16-6-9-3-11-5-14(1-2-15(11)13-9)4-10-7-17-8-12-10/h3,7-8,16H,1-2,4-6H2
InChIKeyPXOWIQXWWZNTBA-UHFFFAOYSA-N
XLogP0.85
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91767370) is [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(Cc1cscn1)C2.
What is the InChIKey of [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is PXOWIQXWWZNTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-6-9-3-11-5-14(1-2-15(11)13-9)4-10-7-17-8-12-10/h3,7-8,16H,1-2,4-6H2.
What are the key properties of [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 250.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91767370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).