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

C13H18N4OS — CID 91788623

IUPAC[5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nc(CN2CCn3nc(CO)cc3C2)c(C)s1
InChIInChI=1S/C13H18N4OS/c1-9-13(14-10(2)19-9)7-16-3-4-17-12(6-16)5-11(8-18)15-17/h5,18H,3-4,6-8H2,1-2H3
InChIKeyJSOOXHYZZSEGKT-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.46
Rot. Bonds3

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

[5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91788623) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91788623
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name[5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nc(CN2CCn3nc(CO)cc3C2)c(C)s1
InChIInChI=1S/C13H18N4OS/c1-9-13(14-10(2)19-9)7-16-3-4-17-12(6-16)5-11(8-18)15-17/h5,18H,3-4,6-8H2,1-2H3
InChIKeyJSOOXHYZZSEGKT-UHFFFAOYSA-N
XLogP1.46
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91788623) is [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is Cc1nc(CN2CCn3nc(CO)cc3C2)c(C)s1.
What is the InChIKey of [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is JSOOXHYZZSEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-13(14-10(2)19-9)7-16-3-4-17-12(6-16)5-11(8-18)15-17/h5,18H,3-4,6-8H2,1-2H3.
What are the key properties of [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 278.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91788623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).