2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione

C13H13ClN2O2 — CID 22417598

IUPAC2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
SMILESO=C1C(c2ccccc2Cl)C(=O)N2CCCCN12
InChIInChI=1S/C13H13ClN2O2/c14-10-6-2-1-5-9(10)11-12(17)15-7-3-4-8-16(15)13(11)18/h1-2,5-6,11H,3-4,7-8H2
InChIKeyRKQXGCQSRAPIHF-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.80
Rot. Bonds1

About 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione

2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione (PubChem CID 22417598) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
PubChem CID22417598
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
SMILESO=C1C(c2ccccc2Cl)C(=O)N2CCCCN12
InChIInChI=1S/C13H13ClN2O2/c14-10-6-2-1-5-9(10)11-12(17)15-7-3-4-8-16(15)13(11)18/h1-2,5-6,11H,3-4,7-8H2
InChIKeyRKQXGCQSRAPIHF-UHFFFAOYSA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione?
The IUPAC name of 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione (CID 22417598) is 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione?
The canonical SMILES for 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione is O=C1C(c2ccccc2Cl)C(=O)N2CCCCN12.
What is the InChIKey of 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione?
The InChIKey is RKQXGCQSRAPIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-10-6-2-1-5-9(10)11-12(17)15-7-3-4-8-16(15)13(11)18/h1-2,5-6,11H,3-4,7-8H2.
What are the key properties of 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione?
2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione has a molecular weight of 264.71 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione is sourced from PubChem (CID 22417598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).