6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde

C8H11N3O — CID 83862963

IUPAC6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
SMILESCN1CCc2c(C=O)n[nH]c2C1
InChIInChI=1S/C8H11N3O/c1-11-3-2-6-7(4-11)9-10-8(6)5-12/h5H,2-4H2,1H3,(H,9,10)
InChIKeyNWNMGQURCMNSGJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.21
Rot. Bonds1

About 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde

6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde (PubChem CID 83862963) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
PubChem CID83862963
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
SMILESCN1CCc2c(C=O)n[nH]c2C1
InChIInChI=1S/C8H11N3O/c1-11-3-2-6-7(4-11)9-10-8(6)5-12/h5H,2-4H2,1H3,(H,9,10)
InChIKeyNWNMGQURCMNSGJ-UHFFFAOYSA-N
XLogP0.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.21
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 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde?
The IUPAC name of 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde (CID 83862963) is 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde?
The canonical SMILES for 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde is CN1CCc2c(C=O)n[nH]c2C1.
What is the InChIKey of 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde?
The InChIKey is NWNMGQURCMNSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-3-2-6-7(4-11)9-10-8(6)5-12/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde?
6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde has a molecular weight of 165.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 83862963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).