5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C11H9ClN4OS — CID 113446741

IUPAC5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3cnc(Cl)s3)ccn2n1
InChIInChI=1S/C11H9ClN4OS/c1-7-4-9-10(17)15(2-3-16(9)14-7)6-8-5-13-11(12)18-8/h2-5H,6H2,1H3
InChIKeyNBWBKZKBOUWNGO-UHFFFAOYSA-N
MW280.74 g/mol
LogP1.96
Rot. Bonds2

About 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 113446741) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID113446741
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3cnc(Cl)s3)ccn2n1
InChIInChI=1S/C11H9ClN4OS/c1-7-4-9-10(17)15(2-3-16(9)14-7)6-8-5-13-11(12)18-8/h2-5H,6H2,1H3
InChIKeyNBWBKZKBOUWNGO-UHFFFAOYSA-N
XLogP1.96
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 113446741) is 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(Cc3cnc(Cl)s3)ccn2n1.
What is the InChIKey of 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NBWBKZKBOUWNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c1-7-4-9-10(17)15(2-3-16(9)14-7)6-8-5-13-11(12)18-8/h2-5H,6H2,1H3.
What are the key properties of 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 280.74 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 113446741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).