5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde

C7H9N3O — CID 83862944

IUPAC5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
SMILESCN1Cc2[nH]nc(C=O)c2C1
InChIInChI=1S/C7H9N3O/c1-10-2-5-6(3-10)8-9-7(5)4-11/h4H,2-3H2,1H3,(H,8,9)
InChIKeyIXMITDJOAHRLEN-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.17
Rot. Bonds1

About 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde

5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde (PubChem CID 83862944) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
PubChem CID83862944
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
SMILESCN1Cc2[nH]nc(C=O)c2C1
InChIInChI=1S/C7H9N3O/c1-10-2-5-6(3-10)8-9-7(5)4-11/h4H,2-3H2,1H3,(H,8,9)
InChIKeyIXMITDJOAHRLEN-UHFFFAOYSA-N
XLogP0.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde?
The IUPAC name of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde (CID 83862944) is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde?
The canonical SMILES for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde is CN1Cc2[nH]nc(C=O)c2C1.
What is the InChIKey of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde?
The InChIKey is IXMITDJOAHRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10-2-5-6(3-10)8-9-7(5)4-11/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde?
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde is sourced from PubChem (CID 83862944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).