6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde

C13H7Cl2N3O2 — CID 58170006

IUPAC6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESO=Cc1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C13H7Cl2N3O2/c14-7-1-2-9(10(15)3-7)11-5-18-12(13(20)16-11)4-8(6-19)17-18/h1-6H,(H,16,20)
InChIKeyGTLLAVVBQGWWSZ-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.81
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde

6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde (PubChem CID 58170006) has the molecular formula C13H7Cl2N3O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
PubChem CID58170006
Molecular FormulaC13H7Cl2N3O2
Molecular Weight308.12 g/mol
Exact Mass306.99
IUPAC Name6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESO=Cc1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C13H7Cl2N3O2/c14-7-1-2-9(10(15)3-7)11-5-18-12(13(20)16-11)4-8(6-19)17-18/h1-6H,(H,16,20)
InChIKeyGTLLAVVBQGWWSZ-UHFFFAOYSA-N
XLogP2.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The IUPAC name of 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde (CID 58170006) is 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The canonical SMILES for 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde is O=Cc1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The InChIKey is GTLLAVVBQGWWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O2/c14-7-1-2-9(10(15)3-7)11-5-18-12(13(20)16-11)4-8(6-19)17-18/h1-6H,(H,16,20).
What are the key properties of 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde has a molecular weight of 308.12 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 58170006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).