5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C13H11ClN4O — CID 104734892

IUPAC5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccc(Cl)nc3)ccn2n1
InChIInChI=1S/C13H11ClN4O/c1-9-6-11-13(19)17(4-5-18(11)16-9)8-10-2-3-12(14)15-7-10/h2-7H,8H2,1H3
InChIKeyPCCKIMABPGKZDM-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.90
Rot. Bonds2

About 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734892) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734892
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccc(Cl)nc3)ccn2n1
InChIInChI=1S/C13H11ClN4O/c1-9-6-11-13(19)17(4-5-18(11)16-9)8-10-2-3-12(14)15-7-10/h2-7H,8H2,1H3
InChIKeyPCCKIMABPGKZDM-UHFFFAOYSA-N
XLogP1.90
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104734892) is 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(Cc3ccc(Cl)nc3)ccn2n1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PCCKIMABPGKZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-9-6-11-13(19)17(4-5-18(11)16-9)8-10-2-3-12(14)15-7-10/h2-7H,8H2,1H3.
What are the key properties of 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 274.71 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).