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

C12H10ClN3O2 — CID 91895161

IUPAC2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(O)n2nc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C12H10ClN3O2/c13-8-3-1-7(2-4-8)9-5-10-12(18)14-6-11(17)16(10)15-9/h1-5,11,17H,6H2,(H,14,18)
InChIKeyKLBGRXJPOCMZNT-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.44
Rot. Bonds1

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

2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91895161) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91895161
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(O)n2nc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C12H10ClN3O2/c13-8-3-1-7(2-4-8)9-5-10-12(18)14-6-11(17)16(10)15-9/h1-5,11,17H,6H2,(H,14,18)
InChIKeyKLBGRXJPOCMZNT-UHFFFAOYSA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91895161) is 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCC(O)n2nc(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KLBGRXJPOCMZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-8-3-1-7(2-4-8)9-5-10-12(18)14-6-11(17)16(10)15-9/h1-5,11,17H,6H2,(H,14,18).
What are the key properties of 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 263.68 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91895161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).