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

C13H18N4O2S — CID 91790710

IUPAC1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCc1scnc1CN1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C13H18N4O2S/c1-9-12(14-8-20-9)6-16-2-3-17-10(5-16)4-11(15-17)13(19)7-18/h4,8,13,18-19H,2-3,5-7H2,1H3
InChIKeyCLYWTASFOZBISS-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.69
Rot. Bonds4

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

1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 91790710) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
PubChem CID91790710
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCc1scnc1CN1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C13H18N4O2S/c1-9-12(14-8-20-9)6-16-2-3-17-10(5-16)4-11(15-17)13(19)7-18/h4,8,13,18-19H,2-3,5-7H2,1H3
InChIKeyCLYWTASFOZBISS-UHFFFAOYSA-N
XLogP0.69
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (CID 91790710) is 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is Cc1scnc1CN1CCn2nc(C(O)CO)cc2C1.
What is the InChIKey of 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is CLYWTASFOZBISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-12(14-8-20-9)6-16-2-3-17-10(5-16)4-11(15-17)13(19)7-18/h4,8,13,18-19H,2-3,5-7H2,1H3.
What are the key properties of 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 294.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 91790710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).