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

C12H10ClN3O — CID 72698979

IUPAC2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccccc3Cl)cc21
InChIInChI=1S/C12H10ClN3O/c13-9-4-2-1-3-8(9)10-7-11-12(17)14-5-6-16(11)15-10/h1-4,7H,5-6H2,(H,14,17)
InChIKeyPXRHTZUAHWFXQA-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.95
Rot. Bonds1

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

2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 72698979) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID72698979
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccccc3Cl)cc21
InChIInChI=1S/C12H10ClN3O/c13-9-4-2-1-3-8(9)10-7-11-12(17)14-5-6-16(11)15-10/h1-4,7H,5-6H2,(H,14,17)
InChIKeyPXRHTZUAHWFXQA-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 72698979) is 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccccc3Cl)cc21.
What is the InChIKey of 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PXRHTZUAHWFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-4-2-1-3-8(9)10-7-11-12(17)14-5-6-16(11)15-10/h1-4,7H,5-6H2,(H,14,17).
What are the key properties of 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 247.69 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 72698979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).