2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde

C10H15N3O3 — CID 18722009

IUPAC2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
SMILESCNC1(C)C(=O)N2CC(C)C(C=O)N2C1=O
InChIInChI=1S/C10H15N3O3/c1-6-4-12-8(15)10(2,11-3)9(16)13(12)7(6)5-14/h5-7,11H,4H2,1-3H3
InChIKeyMASFOLKLMJLISG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.23
Rot. Bonds2

About 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde

2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde (PubChem CID 18722009) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
PubChem CID18722009
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
SMILESCNC1(C)C(=O)N2CC(C)C(C=O)N2C1=O
InChIInChI=1S/C10H15N3O3/c1-6-4-12-8(15)10(2,11-3)9(16)13(12)7(6)5-14/h5-7,11H,4H2,1-3H3
InChIKeyMASFOLKLMJLISG-UHFFFAOYSA-N
XLogP-1.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
The IUPAC name of 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde (CID 18722009) is 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
The canonical SMILES for 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde is CNC1(C)C(=O)N2CC(C)C(C=O)N2C1=O.
What is the InChIKey of 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
The InChIKey is MASFOLKLMJLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-4-12-8(15)10(2,11-3)9(16)13(12)7(6)5-14/h5-7,11H,4H2,1-3H3.
What are the key properties of 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde has a molecular weight of 225.25 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde is sourced from PubChem (CID 18722009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).