2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C13H13N3O — CID 112708342

IUPAC2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1cc2n(n1)CCNC2=O
InChIInChI=1S/C13H13N3O/c1-9-4-2-3-5-10(9)11-8-12-13(17)14-6-7-16(12)15-11/h2-5,8H,6-7H2,1H3,(H,14,17)
InChIKeyUKMRLXRXFFEOMF-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.60
Rot. Bonds1

About 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 112708342) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID112708342
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1cc2n(n1)CCNC2=O
InChIInChI=1S/C13H13N3O/c1-9-4-2-3-5-10(9)11-8-12-13(17)14-6-7-16(12)15-11/h2-5,8H,6-7H2,1H3,(H,14,17)
InChIKeyUKMRLXRXFFEOMF-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 112708342) is 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1ccccc1-c1cc2n(n1)CCNC2=O.
What is the InChIKey of 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UKMRLXRXFFEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-4-2-3-5-10(9)11-8-12-13(17)14-6-7-16(12)15-11/h2-5,8H,6-7H2,1H3,(H,14,17).
What are the key properties of 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 227.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 112708342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).