5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde

C8H9N3O2 — CID 126717669

IUPAC5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESCN1CCn2nc(C=O)cc2C1=O
InChIInChI=1S/C8H9N3O2/c1-10-2-3-11-7(8(10)13)4-6(5-12)9-11/h4-5H,2-3H2,1H3
InChIKeyKCXWGUYIIAMSHI-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.22
Rot. Bonds1

About 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde

5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde (PubChem CID 126717669) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
PubChem CID126717669
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESCN1CCn2nc(C=O)cc2C1=O
InChIInChI=1S/C8H9N3O2/c1-10-2-3-11-7(8(10)13)4-6(5-12)9-11/h4-5H,2-3H2,1H3
InChIKeyKCXWGUYIIAMSHI-UHFFFAOYSA-N
XLogP-0.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
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 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The IUPAC name of 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde (CID 126717669) is 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde is CN1CCn2nc(C=O)cc2C1=O.
What is the InChIKey of 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The InChIKey is KCXWGUYIIAMSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-10-2-3-11-7(8(10)13)4-6(5-12)9-11/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde?
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde has a molecular weight of 179.18 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 126717669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).