2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C14H13N3O — CID 27510322

IUPAC2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1C
InChIInChI=1S/C14H13N3O/c1-9-3-4-11(7-10(9)2)12-8-13-14(18)15-5-6-17(13)16-12/h3-8H,1-2H3,(H,15,18)
InChIKeySOWSUFWSTQBPQV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.31
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27510322) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27510322
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1C
InChIInChI=1S/C14H13N3O/c1-9-3-4-11(7-10(9)2)12-8-13-14(18)15-5-6-17(13)16-12/h3-8H,1-2H3,(H,15,18)
InChIKeySOWSUFWSTQBPQV-UHFFFAOYSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 27510322) is 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SOWSUFWSTQBPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-3-4-11(7-10(9)2)12-8-13-14(18)15-5-6-17(13)16-12/h3-8H,1-2H3,(H,15,18).
What are the key properties of 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 239.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27510322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).