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

C11H19N3O2 — CID 18722003

IUPAC1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
SMILESCNC1(C)CN2C(C)CC(C)(C=O)N2C1=O
InChIInChI=1S/C11H19N3O2/c1-8-5-10(2,7-15)14-9(16)11(3,12-4)6-13(8)14/h7-8,12H,5-6H2,1-4H3
InChIKeyKHGPJZOWFQDOTF-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.23
Rot. Bonds2

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

1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde (PubChem CID 18722003) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
PubChem CID18722003
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
SMILESCNC1(C)CN2C(C)CC(C)(C=O)N2C1=O
InChIInChI=1S/C11H19N3O2/c1-8-5-10(2,7-15)14-9(16)11(3,12-4)6-13(8)14/h7-8,12H,5-6H2,1-4H3
InChIKeyKHGPJZOWFQDOTF-UHFFFAOYSA-N
XLogP-0.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
CID 12962870
1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde
CID 145460703
cis-(1S,3S)-1,3-dimethyl-4-oxocyclopentane-1-carbaldehyde
CID 99995687
2,6-dimethyl-6-(methylamino)-5,7-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
CID 18722009
6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid
CID 18722110
3,3,4-trimethyl-2-oxocyclopentane-1-carbaldehyde
CID 130025531
1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde
CID 123460856
tert-butyl N-[1,6-dimethyl-5-oxo-3-(oxomethyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]carbamate;yttrium
CID 59958706
(5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane
CID 135189684
1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one
CID 174564313
N,1,3-trimethylcyclobutan-1-amine
CID 146805170
2-methyl-4-oxoazetidine-1-carbaldehyde
CID 118219535

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
The IUPAC name of 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde (CID 18722003) is 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
The canonical SMILES for 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde is CNC1(C)CN2C(C)CC(C)(C=O)N2C1=O.
What is the InChIKey of 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
The InChIKey is KHGPJZOWFQDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-5-10(2,7-15)14-9(16)11(3,12-4)6-13(8)14/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde?
1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde is sourced from PubChem (CID 18722003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).